3-Chloro-4-(piperidin-1-yl)benzoic acid

HCID 18956231
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Basic information

Standard SMILES
O=C(O)c1ccc(N2CCCCC2)c(Cl)c1
InChIKey
STYXVHJLERNGOJ-UHFFFAOYSA-N
Molecular formula
C12H14ClNO2
Average molar mass
239.7 g/mol
Monoisotopic mass
239.0713064

Names & identifiers

Preferred name
3-Chloro-4-(piperidin-1-yl)benzoic acid
IUPAC
3-chloro-4-piperidin-1-ylbenzoic acid

Names & synonyms

3-Chloro-4-(piperidin-1-yl)benzoic acid26709-09-1SCHEMBL88061603-chloro-4-piperidinobenzoic acidSTYXVHJLERNGOJ-UHFFFAOYSA-NAKOS0123882293-chloro-4-(1-piperidyl)benzoic acidCS-0210192

Database identifiers

PubChem CID
18956231

Properties

Computed structural properties

XLogP
3
Topological polar surface area
40.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
16

Related reactions

2 records
New reaction record

Linked notes

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