2'- (1-Piperidinyl) acetophenone

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CAS Number

39911-06-3

MDL Number

MFCD09755943

Purity

=95%

Smiles

CC(=O)c1ccccc1N2CCCCC2

Chemical Information

1-(2-(Piperidin-1-yl)phenyl)ethanone

CAS Number	39911-06-3
PubChem CID	425094
IUPAC Name	1-(2-piperidin-1-ylphenyl)ethanone
Molecular Formula	C13H17NO
Molecular Weight	203.28
XLogP	2.6
Topological Polar Surface Area	20.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	221

SMILES

CC(=O)C1=CC=CC=C1N2CCCCC2

InChI

InChI=1S/C13H17NO/c1-11(15)12-7-3-4-8-13(12)14-9-5-2-6-10-14/h3-4,7-8H,2,5-6,9-10H2,1H3

InChIKey

VDRKZEDBPNTPBU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 39911-06-3

CID: 425094

Formula: C13H17NO

MW: 203.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	203.28
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	203.131014166
Monoisotopic Mass	203.131014166
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	221
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR400536-01	2'- (Methylsulfonyl) acetophenone
OR470717	2'- (Allyloxy) acetophenone
PC5193	2'- (Trifluoromethylthio) acetophenone
PC50137	2’- (Pentafluoroethyl) acetophenone
PC4816-01	2'- (Trifluoromethoxy) acetophenone
PC7470-01	2'- (Trifluoromethyl) acetophenone
PC5464-01	2'- (Difluoromethoxy) acetophenone
BUP18875-01	Acetophenone
PC500926	2- (2,2-Difluoroethoxy) acetophenone
OR471683-01	2- (1-Piperidinyl) -3-pyridinamine

Catalog	Name
FM25326-01	1- (4-Methoxyphenyl) acetophenone
sc-267827	4'- (1-Pyrrolidinyl) acetophenone
TRC-M265800-500MG	1-(4-Methoxyphenyl)acetophenone
AR-A05448-01	Acetophenone Related Compound 1
P20190	P- (1-Piperidineo) Acetophenone
sc-223674	4'- (Imidazol-1-yl) acetophenone
TRC-I577463-1G	4'-(Imidazol-1-yl)acetophenone
I3250-01	4′- (Imidazol-1-yl) acetophenone
JH913260	2’-chloro-1- (4-trifluoromethoxy) acetophenone
JH122561	1,1,1-trifluoro-4- (4-methoxyphenyl) acetophenone