2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-one

C18H24ClNO — CID 106863580

IUPAC2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-one
SMILESCc1ccc(CN2CCCCC2C2CCCC2=O)c(Cl)c1
InChIInChI=1S/C18H24ClNO/c1-13-8-9-14(16(19)11-13)12-20-10-3-2-6-17(20)15-5-4-7-18(15)21/h8-9,11,15,17H,2-7,10,12H2,1H3
InChIKeyQIQPZZPPGMPXPP-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.37
Rot. Bonds3

About 2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-one

2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-one (PubChem CID 106863580) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is 2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-one
PubChem CID106863580
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-one
SMILESCc1ccc(CN2CCCCC2C2CCCC2=O)c(Cl)c1
InChIInChI=1S/C18H24ClNO/c1-13-8-9-14(16(19)11-13)12-20-10-3-2-6-17(20)15-5-4-7-18(15)21/h8-9,11,15,17H,2-7,10,12H2,1H3
InChIKeyQIQPZZPPGMPXPP-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 106863575
2-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 79544630
2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 79541000
2-[1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 102855965
2-(chloromethyl)-1-[(2-chloro-4-methylphenyl)methyl]azepane
CID 106869918
1-[(2-chloro-4-methylphenyl)methyl]azepane-2-carboxylic acid
CID 106865263
(2S)-2-[(2S)-1-benzylazepan-2-yl]cyclopentan-1-one
CID 99978810
1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine
CID 106865562
2-(2-bromoethyl)-1-[(2-chloro-4-methylphenyl)methyl]piperidine
CID 106869853
2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 79536827
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-one (CID 106863580) is 2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-one is Cc1ccc(CN2CCCCC2C2CCCC2=O)c(Cl)c1.
What is the InChIKey of 2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-one?
The InChIKey is QIQPZZPPGMPXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO/c1-13-8-9-14(16(19)11-13)12-20-10-3-2-6-17(20)15-5-4-7-18(15)21/h8-9,11,15,17H,2-7,10,12H2,1H3.
What are the key properties of 2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-one?
2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-one has a molecular weight of 305.85 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 106863580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).