4-chloro-3-piperidin-1-ylbenzoic acid

C12H14ClNO2 — CID 7148438

IUPAC4-chloro-3-piperidin-1-ylbenzoic acid
SMILESO=C(O)c1ccc(Cl)c(N2CCCCC2)c1
InChIInChI=1S/C12H14ClNO2/c13-10-5-4-9(12(15)16)8-11(10)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,15,16)
InChIKeyAWYXXFCRDASAPP-UHFFFAOYSA-N
MW239.70 g/mol
LogP3.03
Rot. Bonds2

About 4-chloro-3-piperidin-1-ylbenzoic acid

4-chloro-3-piperidin-1-ylbenzoic acid (PubChem CID 7148438) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 4-chloro-3-piperidin-1-ylbenzoic acid.

Molecular Properties

Compound Name4-chloro-3-piperidin-1-ylbenzoic acid
PubChem CID7148438
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name4-chloro-3-piperidin-1-ylbenzoic acid
SMILESO=C(O)c1ccc(Cl)c(N2CCCCC2)c1
InChIInChI=1S/C12H14ClNO2/c13-10-5-4-9(12(15)16)8-11(10)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,15,16)
InChIKeyAWYXXFCRDASAPP-UHFFFAOYSA-N
XLogP3.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-pyrrolidin-1-ylbenzoic acid
CID 7148434
4-(azocan-1-yl)-3-chlorobenzoic acid
CID 63088316
3-chloro-4-piperidin-1-ylbenzoic acid
CID 18956231
(4-chloro-3-pyrrolidin-1-ylphenyl)-(4-methylphenyl)methanone
CID 168515724
3-(azepan-1-yl)-4-methylbenzoic acid
CID 79686827
3-(4-benzylpiperazin-1-yl)-4-chlorobenzoic acid
CID 110452600
4-chloro-3-(2,7-dioxoazepan-1-yl)benzoic acid
CID 43446726
3-(4-chloro-3-piperidin-1-ylphenyl)propanoic acid
CID 82514433
3-fluoro-4-pyrrolidin-1-ylbenzoic acid
CID 28604177
4-chloro-3-[4-(3,5-dimethyl-1,2-thiazol-4-yl)piperazin-1-yl]benzoic acid
CID 164879152
1-(2-chloro-5-pyrrolidin-1-ylphenyl)pyrrolidine
CID 23660792
3-chloro-4-(2,5-dihydropyrrol-1-yl)benzoic acid
CID 64683147

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-piperidin-1-ylbenzoic acid?
The IUPAC name of 4-chloro-3-piperidin-1-ylbenzoic acid (CID 7148438) is 4-chloro-3-piperidin-1-ylbenzoic acid.
What is the SMILES notation for 4-chloro-3-piperidin-1-ylbenzoic acid?
The canonical SMILES for 4-chloro-3-piperidin-1-ylbenzoic acid is O=C(O)c1ccc(Cl)c(N2CCCCC2)c1.
What is the InChIKey of 4-chloro-3-piperidin-1-ylbenzoic acid?
The InChIKey is AWYXXFCRDASAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-10-5-4-9(12(15)16)8-11(10)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,15,16).
What are the key properties of 4-chloro-3-piperidin-1-ylbenzoic acid?
4-chloro-3-piperidin-1-ylbenzoic acid has a molecular weight of 239.70 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-piperidin-1-ylbenzoic acid is sourced from PubChem (CID 7148438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).