3-[ (4-Chlorophenyl) methyl]piperidine

CAT: 0926-LFA42252-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-LFA42252-01Size:1 g

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CAS Number

136422-52-1

MDL Number

MFCD07383554

Smiles

C1CC (CNC1) CC2=CC=C (C=C2) Cl

Molecular Formula

C12H16ClN

Molecular Weight

209.71 g/mol

Controlled

Chemical Information

3-[(4-Chlorophenyl)methyl]piperidine

CAS Number	136422-52-1
PubChem CID	3746536
IUPAC Name	3-[(4-chlorophenyl)methyl]piperidine
Molecular Formula	C12H16ClN
Molecular Weight	209.71
XLogP	3.1
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	164

SMILES

C1CC(CNC1)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H16ClN/c13-12-5-3-10(4-6-12)8-11-2-1-7-14-9-11/h3-6,11,14H,1-2,7-9H2

InChIKey

VEVHEHZAQHSNBX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 136422-52-1

CID: 3746536

Formula: C12H16ClN

MW: 209.71

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	209.71
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	209.0971272
Monoisotopic Mass	209.0971272
Topological Polar Surface Area	12 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	164
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
IQA12823-01	2-[ (3-Chlorophenyl) methyl]piperidine
AXC30294-01	4-[ (2-Chlorophenyl) methyl]piperidine hydrochloride
IQA12877-01	2-[ (2-Chlorophenyl) methyl]piperidine
IQA12809-01	2- (4-Chlorophenyl) piperidine
IQA12812-01	2- (3-Chlorophenyl) piperidine
BMB21217-01	4-Methyl-1- (piperidin-3-ylmethyl) piperidine
MXB17408-01	1-[ (tert-Butoxy) carbonyl]-4-[ (3-chlorophenyl) methyl]piperidine-4-carboxylic acid
LFA42181	3-[ (4-Methylphenyl) methyl]piperidine
DXC59021-01	4-[ (3-Chlorophenyl) methyl]piperidin-4-ol hydrochloride
SGB90673-01	1-Methyl-4- (piperidine-3-carbonyl) piperazine

Catalog	Name
OR1099777	1-[ (4-Chlorophenyl) methyl]piperidine
OR1050436-01	4- (((4-Chlorophenyl) thio) methyl) piperidine hydrochloride
OR8735-01	4- (4-Chlorophenyl) piperidine
OR1050370-01	3- (((4-Chlorophenyl) thio) methyl) piperidine hydrochloride
OR1099430	1-[ (3-Chlorophenyl) methyl]piperidine
OR1046022-01	4- (2-Chlorophenyl) piperidine
sc-348612A	4-[ (4-chlorophenyl) carbonyl]piperidine
OR1030367-01	4- (4-Chlorophenyl) Piperidine Hydrochloride
sc-267093	4- (4-Chlorophenyl) -piperidine hydrochloride
OR1006673-01	Methyl (3R,4R) -3- (4-chlorophenyl) piperidine-4-carboxylate