2-(3-piperidin-1-ylphenyl)acetic acid;hydrochloride

C13H18ClNO2 — CID 158542328

IUPAC2-(3-piperidin-1-ylphenyl)acetic acid;hydrochloride
SMILESCl.O=C(O)Cc1cccc(N2CCCCC2)c1
InChIInChI=1S/C13H17NO2.ClH/c15-13(16)10-11-5-4-6-12(9-11)14-7-2-1-3-8-14;/h4-6,9H,1-3,7-8,10H2,(H,15,16);1H
InChIKeyHORIZZYMWZIJAZ-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.73
Rot. Bonds3

About 2-(3-piperidin-1-ylphenyl)acetic acid;hydrochloride

2-(3-piperidin-1-ylphenyl)acetic acid;hydrochloride (PubChem CID 158542328) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylphenyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(3-piperidin-1-ylphenyl)acetic acid;hydrochloride
PubChem CID158542328
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name2-(3-piperidin-1-ylphenyl)acetic acid;hydrochloride
SMILESCl.O=C(O)Cc1cccc(N2CCCCC2)c1
InChIInChI=1S/C13H17NO2.ClH/c15-13(16)10-11-5-4-6-12(9-11)14-7-2-1-3-8-14;/h4-6,9H,1-3,7-8,10H2,(H,15,16);1H
InChIKeyHORIZZYMWZIJAZ-UHFFFAOYSA-N
XLogP2.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylphenyl)acetic acid;hydrochloride?
The IUPAC name of 2-(3-piperidin-1-ylphenyl)acetic acid;hydrochloride (CID 158542328) is 2-(3-piperidin-1-ylphenyl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(3-piperidin-1-ylphenyl)acetic acid;hydrochloride?
The canonical SMILES for 2-(3-piperidin-1-ylphenyl)acetic acid;hydrochloride is Cl.O=C(O)Cc1cccc(N2CCCCC2)c1.
What is the InChIKey of 2-(3-piperidin-1-ylphenyl)acetic acid;hydrochloride?
The InChIKey is HORIZZYMWZIJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.ClH/c15-13(16)10-11-5-4-6-12(9-11)14-7-2-1-3-8-14;/h4-6,9H,1-3,7-8,10H2,(H,15,16);1H.
What are the key properties of 2-(3-piperidin-1-ylphenyl)acetic acid;hydrochloride?
2-(3-piperidin-1-ylphenyl)acetic acid;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylphenyl)acetic acid;hydrochloride is sourced from PubChem (CID 158542328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).