3-Cyclohexylpiperidin-2-one

CAT: 0926-ACA54923-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-ACA54923-01Size:100 mg

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CAS Number

50549-23-0

MDL Number

MFCD24560410

Smiles

C1CCC (CC1) C2CCCNC2=O

Molecular Formula

C11H19NO

Molecular Weight

181.27 g/mol

Controlled

Chemical Information

3-Cyclohexylpiperidin-2-one

CAS Number	50549-23-0
PubChem CID	71366540
IUPAC Name	3-cyclohexylpiperidin-2-one
Molecular Formula	C11H19NO
Molecular Weight	181.27
XLogP	2.7
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	185

SMILES

C1CCC(CC1)C2CCCNC2=O

InChI

InChI=1S/C11H19NO/c13-11-10(7-4-8-12-11)9-5-2-1-3-6-9/h9-10H,1-8H2,(H,12,13)

InChIKey

VPAPIRKENYRKCN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 50549-23-0

CID: 71366540

Formula: C11H19NO

MW: 181.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.27
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	181.146664230
Monoisotopic Mass	181.146664230
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	185
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
TDC44863-01	3-Amino-1-cyclohexylpiperidin-2-one
IMB71315-01	1-Cyclohexylpiperidin-3-amine
JCA52879-01	1-Cyclohexylpiperidin-4-amine
XAA10818-01	4-Cyclohexylpiperidin-4-ol hydrochloride
UYB16474-01	1-Cyclohexylpiperazin-2-one hydrochloride
DAA92978-01	2,2-Dimethylindolin-3-one
VAA82571-01	2,3-Dihydrofuran-2-one
CCA66240-01	2,2-Dimethyloxolan-3-one
BAA70914-01	3,3-dichloroazepan-2-one
RBA41912-01	3,3-Dichloropiperidin-2-one

Catalog	Name
sc-331257	N-Cyclohexylpiperidin-4-amine
sc-303350	[ (1-Cyclohexylpiperidin-3-yl) methyl]amine
OR1042186-01	1-Cyclohexylpiperidin-4-amine dihydrochloride
OR1064325-01	(1-Cyclohexylpiperidin-4-yl) methanamine
sc-303349	[ (1-Cyclohexylpiperidin-3-yl) methyl]- (pyridin-3-ylmethyl) amine sulfate
sc-303351	[ (1-Cyclohexylpiperidin-4-yl) methyl]amine
OR29023-01	2,2-Dimethylpentan-3-one
sc-484366	2,3-Dihydroindol-2-one
OR1102842-01	2,2-Dimethyloxetan-3-one
RG-P022692-01	3,3-Dimethylbutan-2-One