1-benzyl-4-methylpiperidine-4-carboxylic acid;hydrochloride

C14H20ClNO2 — CID 75466902

IUPAC1-benzyl-4-methylpiperidine-4-carboxylic acid;hydrochloride
SMILESCC1(C(=O)O)CCN(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C14H19NO2.ClH/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);1H
InChIKeyDRLWHRJMOYTWBW-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.80
Rot. Bonds3

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

1-benzyl-4-methylpiperidine-4-carboxylic acid;hydrochloride (PubChem CID 75466902) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-benzyl-4-methylpiperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-benzyl-4-methylpiperidine-4-carboxylic acid;hydrochloride
PubChem CID75466902
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-benzyl-4-methylpiperidine-4-carboxylic acid;hydrochloride
SMILESCC1(C(=O)O)CCN(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C14H19NO2.ClH/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);1H
InChIKeyDRLWHRJMOYTWBW-UHFFFAOYSA-N
XLogP2.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.80
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;hydrochloride?
The IUPAC name of 1-benzyl-4-methylpiperidine-4-carboxylic acid;hydrochloride (CID 75466902) is 1-benzyl-4-methylpiperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-benzyl-4-methylpiperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-benzyl-4-methylpiperidine-4-carboxylic acid;hydrochloride is CC1(C(=O)O)CCN(Cc2ccccc2)CC1.Cl.
What is the InChIKey of 1-benzyl-4-methylpiperidine-4-carboxylic acid;hydrochloride?
The InChIKey is DRLWHRJMOYTWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/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);1H.
What are the key properties of 1-benzyl-4-methylpiperidine-4-carboxylic acid;hydrochloride?
1-benzyl-4-methylpiperidine-4-carboxylic acid;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.80, 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;hydrochloride is sourced from PubChem (CID 75466902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).