4-phenylpiperidine-4-carboxylic acid;hydrochloride

C12H16ClNO2 — CID 42614249

IUPAC4-phenylpiperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C12H15NO2.ClH/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10;/h1-5,13H,6-9H2,(H,14,15);1H
InChIKeyXAFOQBKRECBLRK-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.81
Rot. Bonds2

About 4-phenylpiperidine-4-carboxylic acid;hydrochloride

4-phenylpiperidine-4-carboxylic acid;hydrochloride (PubChem CID 42614249) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-phenylpiperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-phenylpiperidine-4-carboxylic acid;hydrochloride
PubChem CID42614249
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name4-phenylpiperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C12H15NO2.ClH/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10;/h1-5,13H,6-9H2,(H,14,15);1H
InChIKeyXAFOQBKRECBLRK-UHFFFAOYSA-N
XLogP1.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenylpiperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 4-phenylpiperidine-4-carboxylic acid;hydrochloride (CID 42614249) is 4-phenylpiperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-phenylpiperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 4-phenylpiperidine-4-carboxylic acid;hydrochloride is Cl.O=C(O)C1(c2ccccc2)CCNCC1.
What is the InChIKey of 4-phenylpiperidine-4-carboxylic acid;hydrochloride?
The InChIKey is XAFOQBKRECBLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.ClH/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10;/h1-5,13H,6-9H2,(H,14,15);1H.
What are the key properties of 4-phenylpiperidine-4-carboxylic acid;hydrochloride?
4-phenylpiperidine-4-carboxylic acid;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylpiperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 42614249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).