2-[(2-chlorophenyl)methylidene]piperidin-4-one

C12H12ClNO — CID 167533120

IUPAC2-[(2-chlorophenyl)methylidene]piperidin-4-one
SMILESO=C1CCNC(=Cc2ccccc2Cl)C1
InChIInChI=1S/C12H12ClNO/c13-12-4-2-1-3-9(12)7-10-8-11(15)5-6-14-10/h1-4,7,14H,5-6,8H2
InChIKeyAFSNMXSJDLIGDI-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.63
Rot. Bonds1

About 2-[(2-chlorophenyl)methylidene]piperidin-4-one

2-[(2-chlorophenyl)methylidene]piperidin-4-one (PubChem CID 167533120) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylidene]piperidin-4-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylidene]piperidin-4-one
PubChem CID167533120
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name2-[(2-chlorophenyl)methylidene]piperidin-4-one
SMILESO=C1CCNC(=Cc2ccccc2Cl)C1
InChIInChI=1S/C12H12ClNO/c13-12-4-2-1-3-9(12)7-10-8-11(15)5-6-14-10/h1-4,7,14H,5-6,8H2
InChIKeyAFSNMXSJDLIGDI-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2E)-2-benzylidenepiperidin-4-one
CID 175136219
2-benzylidenepiperidin-4-one;pyridine
CID 175427623
(2Z,5E)-2,5-bis[(2-chlorophenyl)methylidene]cyclopentan-1-one
CID 20834767
3-[(2-chlorophenyl)methylidene]piperidin-4-one
CID 175300543
(2Z,7Z)-2,7-bis[(2-chlorophenyl)methylidene]cycloheptan-1-one
CID 98105115
(2E)-2-[(2-chlorophenyl)methylidene]cyclohexan-1-one
CID 5374995
2,4-bis[(2-chlorophenyl)methylidene]thiolan-3-one
CID 2799503
(2E)-2-[(2-chlorophenyl)methylidene]-3H-inden-1-one
CID 2305460
(2E,6E)-2,6-bis[(2-chlorophenyl)methylidene]-4-phenylcyclohexan-1-one
CID 24938432
4-[(2,3-dichlorophenyl)methylidene]imidazolidine
CID 71362670
3,5-bis[(2-chlorophenyl)methylidene]-1-methylpiperidin-4-one
CID 1109367
2-[(2-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one
CID 4287050

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylidene]piperidin-4-one?
The IUPAC name of 2-[(2-chlorophenyl)methylidene]piperidin-4-one (CID 167533120) is 2-[(2-chlorophenyl)methylidene]piperidin-4-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methylidene]piperidin-4-one?
The canonical SMILES for 2-[(2-chlorophenyl)methylidene]piperidin-4-one is O=C1CCNC(=Cc2ccccc2Cl)C1.
What is the InChIKey of 2-[(2-chlorophenyl)methylidene]piperidin-4-one?
The InChIKey is AFSNMXSJDLIGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c13-12-4-2-1-3-9(12)7-10-8-11(15)5-6-14-10/h1-4,7,14H,5-6,8H2.
What are the key properties of 2-[(2-chlorophenyl)methylidene]piperidin-4-one?
2-[(2-chlorophenyl)methylidene]piperidin-4-one has a molecular weight of 221.69 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylidene]piperidin-4-one is sourced from PubChem (CID 167533120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).