1-benzyl-4-methylpiperidine-4-carboxylic acid

C14H19NO2 — CID 63125026

IUPAC1-benzyl-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H19NO2/c1-14(13(16)17)7-9-15(10-8-14)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,16,17)
InChIKeyKOPVBCTUKHBHBV-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.37
Rot. Bonds3

About 1-benzyl-4-methylpiperidine-4-carboxylic acid

1-benzyl-4-methylpiperidine-4-carboxylic acid (PubChem CID 63125026) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-benzyl-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-4-methylpiperidine-4-carboxylic acid
PubChem CID63125026
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-benzyl-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H19NO2/c1-14(13(16)17)7-9-15(10-8-14)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,16,17)
InChIKeyKOPVBCTUKHBHBV-UHFFFAOYSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-benzyl-4-methylpiperidine-4-carboxylic acid (CID 63125026) is 1-benzyl-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-benzyl-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-benzyl-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-methylpiperidine-4-carboxylic acid?
The InChIKey is KOPVBCTUKHBHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(13(16)17)7-9-15(10-8-14)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,16,17).
What are the key properties of 1-benzyl-4-methylpiperidine-4-carboxylic acid?
1-benzyl-4-methylpiperidine-4-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63125026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).