3- (Methylamino) -1-phenylpiperidin-2-one

CAT: 0926-LCC31394-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-LCC31394-01Size:250 mg

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CAS Number

1311313-94-6

MDL Number

MFCD18917354

Smiles

CNC1CCCN (C1=O) C2=CC=CC=C2

Molecular Formula

C12H16N2O

Molecular Weight

204.27 g/mol

Controlled

Chemical Information

3-(Methylamino)-1-phenylpiperidin-2-one

CAS Number	1311313-94-6
PubChem CID	54593680
IUPAC Name	3-(methylamino)-1-phenylpiperidin-2-one
Molecular Formula	C12H16N2O
Molecular Weight	204.27
XLogP	1.4
Topological Polar Surface Area	32.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	224

SMILES

CNC1CCCN(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C12H16N2O/c1-13-11-8-5-9-14(12(11)15)10-6-3-2-4-7-10/h2-4,6-7,11,13H,5,8-9H2,1H3

InChIKey

PVGKKAFLCYRCCI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1311313-94-6

CID: 54593680

Formula: C12H16N2O

MW: 204.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	204.27
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	204.126263138
Monoisotopic Mass	204.126263138
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	224
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
CDA86885-01	3-Bromo-1-phenylpiperidin-2-one
SID20497-01	3-Acetyl-1-phenylpiperidin-2-one
IZB34451-01	3-Amino-1-phenylpiperidin-2-one
RBA41925-01	6-Phenylpiperidin-2-one
HAB35256	1-Boc-3-Phenylpiperidin-4-one
NUA83856-01	3- (Methylamino) -1-phenylpyrrolidin-2-one
HBA90119-01	3- (Methylamino) -1,2-dihydroisoquinolin-1-one
NCA92121-01	1-Phenylpiperidin-3-amine
QCA79691-01	3- (Methylamino) azepan-2-one
YZB28293-01	1-Methyl-3- (methylamino) pyrrolidin-2-one

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