2-piperidin-1-ylbenzoic acid;hydrochloride

C12H16ClNO2 — CID 119031001

IUPAC2-piperidin-1-ylbenzoic acid;hydrochloride
SMILESCl.O=C(O)c1ccccc1N1CCCCC1
InChIInChI=1S/C12H15NO2.ClH/c14-12(15)10-6-2-3-7-11(10)13-8-4-1-5-9-13;/h2-3,6-7H,1,4-5,8-9H2,(H,14,15);1H
InChIKeyLHQNMRHFDNVPOO-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.80
Rot. Bonds2

About 2-piperidin-1-ylbenzoic acid;hydrochloride

2-piperidin-1-ylbenzoic acid;hydrochloride (PubChem CID 119031001) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-piperidin-1-ylbenzoic acid;hydrochloride.

Molecular Properties

Compound Name2-piperidin-1-ylbenzoic acid;hydrochloride
PubChem CID119031001
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-piperidin-1-ylbenzoic acid;hydrochloride
SMILESCl.O=C(O)c1ccccc1N1CCCCC1
InChIInChI=1S/C12H15NO2.ClH/c14-12(15)10-6-2-3-7-11(10)13-8-4-1-5-9-13;/h2-3,6-7H,1,4-5,8-9H2,(H,14,15);1H
InChIKeyLHQNMRHFDNVPOO-UHFFFAOYSA-N
XLogP2.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Methyl N,N-dimethylanthranilate
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Diphenylamine-2,2'-dicarboxylic acid
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Formylanthranilic acid
CID 101399
2-(2-Carboxyacetamido)benzoic acid
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2-((4-(Dimethylamino)phenyl)diazenyl)benzoic acid
CID 10303
2-(Methylamino)benzoic acid
CID 67069

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylbenzoic acid;hydrochloride?
The IUPAC name of 2-piperidin-1-ylbenzoic acid;hydrochloride (CID 119031001) is 2-piperidin-1-ylbenzoic acid;hydrochloride.
What is the SMILES notation for 2-piperidin-1-ylbenzoic acid;hydrochloride?
The canonical SMILES for 2-piperidin-1-ylbenzoic acid;hydrochloride is Cl.O=C(O)c1ccccc1N1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylbenzoic acid;hydrochloride?
The InChIKey is LHQNMRHFDNVPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.ClH/c14-12(15)10-6-2-3-7-11(10)13-8-4-1-5-9-13;/h2-3,6-7H,1,4-5,8-9H2,(H,14,15);1H.
What are the key properties of 2-piperidin-1-ylbenzoic acid;hydrochloride?
2-piperidin-1-ylbenzoic acid;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylbenzoic acid;hydrochloride is sourced from PubChem (CID 119031001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).