1-(cyclohexylmethyl)-2-methylpiperidine-2-carboxylic acid

C14H25NO2 — CID 104598472

IUPAC1-(cyclohexylmethyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1CC1CCCCC1
InChIInChI=1S/C14H25NO2/c1-14(13(16)17)9-5-6-10-15(14)11-12-7-3-2-4-8-12/h12H,2-11H2,1H3,(H,16,17)
InChIKeyPESLSHUNUPDOIL-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.90
Rot. Bonds3

About 1-(cyclohexylmethyl)-2-methylpiperidine-2-carboxylic acid

1-(cyclohexylmethyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 104598472) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID104598472
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(cyclohexylmethyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1CC1CCCCC1
InChIInChI=1S/C14H25NO2/c1-14(13(16)17)9-5-6-10-15(14)11-12-7-3-2-4-8-12/h12H,2-11H2,1H3,(H,16,17)
InChIKeyPESLSHUNUPDOIL-UHFFFAOYSA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(oxan-3-ylmethyl)piperidine-2-carboxylic acid
CID 104599286
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperidine-2-carboxylic acid
CID 113431091
1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598886
1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598446
1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598906
1-but-2-ynyl-2-methylpiperidine-2-carboxylic acid
CID 104598631
2-methyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 113431104
1,2-dimethylpiperidine-2-carboxylic acid
CID 73440704
2-methyl-1-(2-phenylsulfanylethyl)piperidine-2-carboxylic acid
CID 104598722
1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597783
1-[2-(2-acetamidoethylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598589
2-methyl-1-[(3-methylcyclobutyl)methyl]pyrrolidine-2-carboxamide
CID 123486269

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(cyclohexylmethyl)-2-methylpiperidine-2-carboxylic acid (CID 104598472) is 1-(cyclohexylmethyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(cyclohexylmethyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(cyclohexylmethyl)-2-methylpiperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is PESLSHUNUPDOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(13(16)17)9-5-6-10-15(14)11-12-7-3-2-4-8-12/h12H,2-11H2,1H3,(H,16,17).
What are the key properties of 1-(cyclohexylmethyl)-2-methylpiperidine-2-carboxylic acid?
1-(cyclohexylmethyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 239.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104598472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).