6-[(4-chlorophenyl)methyl]piperidin-2-one;ethane

C14H20ClNO — CID 142132062

IUPAC6-[(4-chlorophenyl)methyl]piperidin-2-one;ethane
SMILESCC.O=C1CCCC(Cc2ccc(Cl)cc2)N1
InChIInChI=1S/C12H14ClNO.C2H6/c13-10-6-4-9(5-7-10)8-11-2-1-3-12(15)14-11;1-2/h4-7,11H,1-3,8H2,(H,14,15);1-2H3
InChIKeyDXBGUVBCMKMVHR-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.58
Rot. Bonds2

About 6-[(4-chlorophenyl)methyl]piperidin-2-one;ethane

6-[(4-chlorophenyl)methyl]piperidin-2-one;ethane (PubChem CID 142132062) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]piperidin-2-one;ethane.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]piperidin-2-one;ethane
PubChem CID142132062
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name6-[(4-chlorophenyl)methyl]piperidin-2-one;ethane
SMILESCC.O=C1CCCC(Cc2ccc(Cl)cc2)N1
InChIInChI=1S/C12H14ClNO.C2H6/c13-10-6-4-9(5-7-10)8-11-2-1-3-12(15)14-11;1-2/h4-7,11H,1-3,8H2,(H,14,15);1-2H3
InChIKeyDXBGUVBCMKMVHR-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3E,5S)-5-[(4-chlorophenyl)methyl]-1,6-diazacyclododec-3-ene-2,7-dione
CID 146482262
(6R)-6-[(4-chlorophenyl)methyl]piperidin-3-one
CID 155577069
(5R)-5-benzylpyrrolidin-2-one
CID 740530
3-[(4-chlorophenyl)methyl]cyclohexan-1-one
CID 64519939
2-[(4-chlorophenyl)methyl]cyclopentan-1-one;methyl formate
CID 174804298
5-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one
CID 104687017
5-[(4-chlorophenyl)methyl]-2-methylmorpholin-3-one
CID 154520608
8-(4-chlorophenyl)azocan-2-one
CID 165492296
5-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 104687151
(6S)-6-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazin-2-one
CID 170200141
6-(iodomethyl)piperidin-2-one
CID 10933573
5-[(4-bromo-3-methylphenyl)methyl]pyrrolidin-2-one
CID 104687060

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl]piperidin-2-one;ethane?
The IUPAC name of 6-[(4-chlorophenyl)methyl]piperidin-2-one;ethane (CID 142132062) is 6-[(4-chlorophenyl)methyl]piperidin-2-one;ethane.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]piperidin-2-one;ethane?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]piperidin-2-one;ethane is CC.O=C1CCCC(Cc2ccc(Cl)cc2)N1.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]piperidin-2-one;ethane?
The InChIKey is DXBGUVBCMKMVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO.C2H6/c13-10-6-4-9(5-7-10)8-11-2-1-3-12(15)14-11;1-2/h4-7,11H,1-3,8H2,(H,14,15);1-2H3.
What are the key properties of 6-[(4-chlorophenyl)methyl]piperidin-2-one;ethane?
6-[(4-chlorophenyl)methyl]piperidin-2-one;ethane has a molecular weight of 253.77 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]piperidin-2-one;ethane is sourced from PubChem (CID 142132062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).