2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one

C18H24ClNO — CID 79541000

IUPAC2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCN1Cc1ccccc1Cl
InChIInChI=1S/C18H24ClNO/c19-16-9-3-1-7-14(16)13-20-12-6-5-10-17(20)15-8-2-4-11-18(15)21/h1,3,7,9,15,17H,2,4-6,8,10-13H2
InChIKeyYPZCIJWNCUGSEF-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.45
Rot. Bonds3

About 2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one

2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one (PubChem CID 79541000) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is 2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one
PubChem CID79541000
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCN1Cc1ccccc1Cl
InChIInChI=1S/C18H24ClNO/c19-16-9-3-1-7-14(16)13-20-12-6-5-10-17(20)15-8-2-4-11-18(15)21/h1,3,7,9,15,17H,2,4-6,8,10-13H2
InChIKeyYPZCIJWNCUGSEF-UHFFFAOYSA-N
XLogP4.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 102855965
2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 79536827
2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 106863580
(2S)-2-[(2S)-1-benzylazepan-2-yl]cyclopentan-1-one
CID 99978810
1-benzyl-2,3,3a,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-4-one
CID 78090939
2-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 79544630
2-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 106863575
2-[1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 114930256
(3aS,7aS)-1-benzyl-3,3a,5,6,7,7a-hexahydro-2H-indol-4-one
CID 86591295
2-[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 107881215
2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 82917495
2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79549274

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one (CID 79541000) is 2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one is O=C1CCCCC1C1CCCCN1Cc1ccccc1Cl.
What is the InChIKey of 2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one?
The InChIKey is YPZCIJWNCUGSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO/c19-16-9-3-1-7-14(16)13-20-12-6-5-10-17(20)15-8-2-4-11-18(15)21/h1,3,7,9,15,17H,2,4-6,8,10-13H2.
What are the key properties of 2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one?
2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one has a molecular weight of 305.85 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79541000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).