1-benzyl-3-hydroxypiperidine-3-carboxylic acid;hydrochloride

C13H18ClNO3 — CID 54595370

IUPAC1-benzyl-3-hydroxypiperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(O)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C13H17NO3.ClH/c15-12(16)13(17)7-4-8-14(10-13)9-11-5-2-1-3-6-11;/h1-3,5-6,17H,4,7-10H2,(H,15,16);1H
InChIKeyOXYAVWYHHFMODM-UHFFFAOYSA-N
MW271.74 g/mol
LogP1.52
Rot. Bonds3

About 1-benzyl-3-hydroxypiperidine-3-carboxylic acid;hydrochloride

1-benzyl-3-hydroxypiperidine-3-carboxylic acid;hydrochloride (PubChem CID 54595370) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 1-benzyl-3-hydroxypiperidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-benzyl-3-hydroxypiperidine-3-carboxylic acid;hydrochloride
PubChem CID54595370
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name1-benzyl-3-hydroxypiperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(O)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C13H17NO3.ClH/c15-12(16)13(17)7-4-8-14(10-13)9-11-5-2-1-3-6-11;/h1-3,5-6,17H,4,7-10H2,(H,15,16);1H
InChIKeyOXYAVWYHHFMODM-UHFFFAOYSA-N
XLogP1.52
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-hydroxypiperidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-benzyl-3-hydroxypiperidine-3-carboxylic acid;hydrochloride (CID 54595370) is 1-benzyl-3-hydroxypiperidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-benzyl-3-hydroxypiperidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-benzyl-3-hydroxypiperidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1(O)CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-hydroxypiperidine-3-carboxylic acid;hydrochloride?
The InChIKey is OXYAVWYHHFMODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3.ClH/c15-12(16)13(17)7-4-8-14(10-13)9-11-5-2-1-3-6-11;/h1-3,5-6,17H,4,7-10H2,(H,15,16);1H.
What are the key properties of 1-benzyl-3-hydroxypiperidine-3-carboxylic acid;hydrochloride?
1-benzyl-3-hydroxypiperidine-3-carboxylic acid;hydrochloride has a molecular weight of 271.74 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-hydroxypiperidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 54595370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).