1-(4-chlorophenyl)piperidin-2-one

C11H12ClNO — CID 53422142

IUPAC1-(4-chlorophenyl)piperidin-2-one
SMILESO=C1CCCCN1c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO/c12-9-4-6-10(7-5-9)13-8-2-1-3-11(13)14/h4-7H,1-3,8H2
InChIKeyMATLCDYJRXTULR-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.86
Rot. Bonds1

About 1-(4-chlorophenyl)piperidin-2-one

1-(4-chlorophenyl)piperidin-2-one (PubChem CID 53422142) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)piperidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)piperidin-2-one
PubChem CID53422142
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name1-(4-chlorophenyl)piperidin-2-one
SMILESO=C1CCCCN1c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO/c12-9-4-6-10(7-5-9)13-8-2-1-3-11(13)14/h4-7H,1-3,8H2
InChIKeyMATLCDYJRXTULR-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-(4-aminophenyl)piperidin-2-one
CID 11458178
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
1-(4-aminophenyl)azepan-2-one
CID 58962781
N-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822397
3,3-dichloro-1-[4-(2-oxopiperidin-1-yl)phenyl]piperidin-2-one
CID 74539659
1-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 3680379
1-[4-(trifluoromethyl)phenyl]azepan-2-one
CID 154102957
1-(4-ethenylphenyl)azepan-2-one
CID 155576688
1-(4-methoxyphenyl)azepan-2-one
CID 66742326
1-(3-bromo-4-fluorophenyl)azepan-2-one
CID 104779696
N'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 26657735

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)piperidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)piperidin-2-one (CID 53422142) is 1-(4-chlorophenyl)piperidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)piperidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)piperidin-2-one is O=C1CCCCN1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)piperidin-2-one?
The InChIKey is MATLCDYJRXTULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c12-9-4-6-10(7-5-9)13-8-2-1-3-11(13)14/h4-7H,1-3,8H2.
What are the key properties of 1-(4-chlorophenyl)piperidin-2-one?
1-(4-chlorophenyl)piperidin-2-one has a molecular weight of 209.68 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)piperidin-2-one is sourced from PubChem (CID 53422142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).