2-(4-aminopiperidin-1-yl)-5-chlorobenzoic acid

C12H15ClN2O2 — CID 55009771

IUPAC2-(4-aminopiperidin-1-yl)-5-chlorobenzoic acid
SMILESNC1CCN(c2ccc(Cl)cc2C(=O)O)CC1
InChIInChI=1S/C12H15ClN2O2/c13-8-1-2-11(10(7-8)12(16)17)15-5-3-9(14)4-6-15/h1-2,7,9H,3-6,14H2,(H,16,17)
InChIKeyNJRVFCMIIGLUGJ-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.97
Rot. Bonds2

About 2-(4-aminopiperidin-1-yl)-5-chlorobenzoic acid

2-(4-aminopiperidin-1-yl)-5-chlorobenzoic acid (PubChem CID 55009771) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-5-chlorobenzoic acid.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-5-chlorobenzoic acid
PubChem CID55009771
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-(4-aminopiperidin-1-yl)-5-chlorobenzoic acid
SMILESNC1CCN(c2ccc(Cl)cc2C(=O)O)CC1
InChIInChI=1S/C12H15ClN2O2/c13-8-1-2-11(10(7-8)12(16)17)15-5-3-9(14)4-6-15/h1-2,7,9H,3-6,14H2,(H,16,17)
InChIKeyNJRVFCMIIGLUGJ-UHFFFAOYSA-N
XLogP1.97
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-1-yl)-5-chlorobenzoic acid
CID 127018592
2-(4-aminopiperidin-1-yl)-5-methylbenzoic acid
CID 55082978
5-chloro-2-(4-methylpiperazin-1-yl)benzoic acid
CID 12784710
5-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]benzoic acid
CID 12784714
5-chloro-2-(4-nonan-5-ylpiperidin-1-yl)benzoic acid
CID 13078635
4-(4-aminopiperidin-1-yl)-2,3-difluorobenzoic acid
CID 79841068
2-(4-aminopiperidin-1-yl)-5-fluorobenzamide
CID 55232289
2-amino-6-(4-aminopiperidin-1-yl)-3-fluorobenzoic acid
CID 83215108
1-(4-chloro-2-fluorophenyl)piperidine-4-carboxylic acid
CID 156503762
5-amino-2-[4-(4-chlorophenyl)piperazin-1-yl]benzoic acid
CID 12784713
1-(2-carbamothioyl-4-chlorophenyl)-N-methylpiperidine-4-carboxamide
CID 62493518
5-chloro-2-piperazin-1-ylbenzamide
CID 62494814

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-5-chlorobenzoic acid?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-5-chlorobenzoic acid (CID 55009771) is 2-(4-aminopiperidin-1-yl)-5-chlorobenzoic acid.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-5-chlorobenzoic acid?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-5-chlorobenzoic acid is NC1CCN(c2ccc(Cl)cc2C(=O)O)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-5-chlorobenzoic acid?
The InChIKey is NJRVFCMIIGLUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-8-1-2-11(10(7-8)12(16)17)15-5-3-9(14)4-6-15/h1-2,7,9H,3-6,14H2,(H,16,17).
What are the key properties of 2-(4-aminopiperidin-1-yl)-5-chlorobenzoic acid?
2-(4-aminopiperidin-1-yl)-5-chlorobenzoic acid has a molecular weight of 254.72 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-5-chlorobenzoic acid is sourced from PubChem (CID 55009771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).