5-chloro-2-(piperidin-1-ylamino)benzoic acid

C12H15ClN2O2 — CID 83015368

IUPAC5-chloro-2-(piperidin-1-ylamino)benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1NN1CCCCC1
InChIInChI=1S/C12H15ClN2O2/c13-9-4-5-11(10(8-9)12(16)17)14-15-6-2-1-3-7-15/h4-5,8,14H,1-3,6-7H2,(H,16,17)
InChIKeyNZLOPFXVOLNKRP-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.85
Rot. Bonds3

About 5-chloro-2-(piperidin-1-ylamino)benzoic acid

5-chloro-2-(piperidin-1-ylamino)benzoic acid (PubChem CID 83015368) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 5-chloro-2-(piperidin-1-ylamino)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(piperidin-1-ylamino)benzoic acid
PubChem CID83015368
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name5-chloro-2-(piperidin-1-ylamino)benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1NN1CCCCC1
InChIInChI=1S/C12H15ClN2O2/c13-9-4-5-11(10(8-9)12(16)17)14-15-6-2-1-3-7-15/h4-5,8,14H,1-3,6-7H2,(H,16,17)
InChIKeyNZLOPFXVOLNKRP-UHFFFAOYSA-N
XLogP2.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 16775751
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5-chloro-2-[[cyclohexyl(methyl)carbamoyl]amino]benzoic acid
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azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone
CID 62173337
2-(azocane-1-carbonylamino)-4-chlorobenzoic acid
CID 61200042
5-chloro-2-(piperidin-1-ylmethyl)benzoic acid
CID 117220873
5-chloro-2-(3-ethylpentan-3-ylamino)benzoic acid
CID 65041198
5-chloro-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61189699
5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid
CID 10427632
[5-chloro-2-(ethylamino)phenyl]-piperidin-1-ylmethanone
CID 62165220
2-(azetidin-1-yl)-5-chlorobenzoic acid
CID 127018592
5-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61186634

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(piperidin-1-ylamino)benzoic acid?
The IUPAC name of 5-chloro-2-(piperidin-1-ylamino)benzoic acid (CID 83015368) is 5-chloro-2-(piperidin-1-ylamino)benzoic acid.
What is the SMILES notation for 5-chloro-2-(piperidin-1-ylamino)benzoic acid?
The canonical SMILES for 5-chloro-2-(piperidin-1-ylamino)benzoic acid is O=C(O)c1cc(Cl)ccc1NN1CCCCC1.
What is the InChIKey of 5-chloro-2-(piperidin-1-ylamino)benzoic acid?
The InChIKey is NZLOPFXVOLNKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-9-4-5-11(10(8-9)12(16)17)14-15-6-2-1-3-7-15/h4-5,8,14H,1-3,6-7H2,(H,16,17).
What are the key properties of 5-chloro-2-(piperidin-1-ylamino)benzoic acid?
5-chloro-2-(piperidin-1-ylamino)benzoic acid has a molecular weight of 254.72 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(piperidin-1-ylamino)benzoic acid is sourced from PubChem (CID 83015368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).