2-benzyl-5-methylpiperidine-1-carboxylic acid

C14H19NO2 — CID 175023427

IUPAC2-benzyl-5-methylpiperidine-1-carboxylic acid
SMILESCC1CCC(Cc2ccccc2)N(C(=O)O)C1
InChIInChI=1S/C14H19NO2/c1-11-7-8-13(15(10-11)14(16)17)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,17)
InChIKeySKCZVPONSOAENE-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.01
Rot. Bonds2

About 2-benzyl-5-methylpiperidine-1-carboxylic acid

2-benzyl-5-methylpiperidine-1-carboxylic acid (PubChem CID 175023427) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-benzyl-5-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-benzyl-5-methylpiperidine-1-carboxylic acid
PubChem CID175023427
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-benzyl-5-methylpiperidine-1-carboxylic acid
SMILESCC1CCC(Cc2ccccc2)N(C(=O)O)C1
InChIInChI=1S/C14H19NO2/c1-11-7-8-13(15(10-11)14(16)17)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,17)
InChIKeySKCZVPONSOAENE-UHFFFAOYSA-N
XLogP3.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-5-fluoropiperidine-1-carboxylic acid
CID 175168412
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CID 175069884
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CID 175595990
4-benzyl-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 70895994
benzyl (2S,5R)-2-(aminomethyl)-5-methylpiperidine-1-carboxylate
CID 125117276
(2S)-2,4-dibenzyl-5,5-dimethylpiperazine-1-carboxylic acid
CID 90977597
(2R)-2-benzyl-1-methylaziridine
CID 87174257
(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078
2-amino-1-(2-benzylpyrrolidin-1-yl)hexan-1-one
CID 60938876
methyl 2-benzylazepane-1-carboxylate
CID 102314657
1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]butan-1-one
CID 102507909
1-(2-benzyl-4-methylpiperazin-1-yl)ethanone
CID 59474156

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-methylpiperidine-1-carboxylic acid?
The IUPAC name of 2-benzyl-5-methylpiperidine-1-carboxylic acid (CID 175023427) is 2-benzyl-5-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for 2-benzyl-5-methylpiperidine-1-carboxylic acid?
The canonical SMILES for 2-benzyl-5-methylpiperidine-1-carboxylic acid is CC1CCC(Cc2ccccc2)N(C(=O)O)C1.
What is the InChIKey of 2-benzyl-5-methylpiperidine-1-carboxylic acid?
The InChIKey is SKCZVPONSOAENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-7-8-13(15(10-11)14(16)17)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,17).
What are the key properties of 2-benzyl-5-methylpiperidine-1-carboxylic acid?
2-benzyl-5-methylpiperidine-1-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 175023427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).