6-benzylpiperidine-2-carboxylic acid

C13H17NO2 — CID 112574120

IUPAC6-benzylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCC(Cc2ccccc2)N1
InChIInChI=1S/C13H17NO2/c15-13(16)12-8-4-7-11(14-12)9-10-5-2-1-3-6-10/h1-3,5-6,11-12,14H,4,7-9H2,(H,15,16)
InChIKeyXXMYLUGQLIZPBP-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.82
Rot. Bonds3

About 6-benzylpiperidine-2-carboxylic acid

6-benzylpiperidine-2-carboxylic acid (PubChem CID 112574120) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 6-benzylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-benzylpiperidine-2-carboxylic acid
PubChem CID112574120
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name6-benzylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCC(Cc2ccccc2)N1
InChIInChI=1S/C13H17NO2/c15-13(16)12-8-4-7-11(14-12)9-10-5-2-1-3-6-10/h1-3,5-6,11-12,14H,4,7-9H2,(H,15,16)
InChIKeyXXMYLUGQLIZPBP-UHFFFAOYSA-N
XLogP1.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-benzylpiperidine-2-carboxylic acid?
The IUPAC name of 6-benzylpiperidine-2-carboxylic acid (CID 112574120) is 6-benzylpiperidine-2-carboxylic acid.
What is the SMILES notation for 6-benzylpiperidine-2-carboxylic acid?
The canonical SMILES for 6-benzylpiperidine-2-carboxylic acid is O=C(O)C1CCCC(Cc2ccccc2)N1.
What is the InChIKey of 6-benzylpiperidine-2-carboxylic acid?
The InChIKey is XXMYLUGQLIZPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(16)12-8-4-7-11(14-12)9-10-5-2-1-3-6-10/h1-3,5-6,11-12,14H,4,7-9H2,(H,15,16).
What are the key properties of 6-benzylpiperidine-2-carboxylic acid?
6-benzylpiperidine-2-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylpiperidine-2-carboxylic acid is sourced from PubChem (CID 112574120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).