2-cyclohexyl-4-methylpiperidine-2-carboxylic acid

C13H23NO2 — CID 22406303

IUPAC2-cyclohexyl-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCNC(C(=O)O)(C2CCCCC2)C1
InChIInChI=1S/C13H23NO2/c1-10-7-8-14-13(9-10,12(15)16)11-5-3-2-4-6-11/h10-11,14H,2-9H2,1H3,(H,15,16)
InChIKeyRIBMCSHQFFUYMU-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.41
Rot. Bonds2

About 2-cyclohexyl-4-methylpiperidine-2-carboxylic acid

2-cyclohexyl-4-methylpiperidine-2-carboxylic acid (PubChem CID 22406303) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-cyclohexyl-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-cyclohexyl-4-methylpiperidine-2-carboxylic acid
PubChem CID22406303
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-cyclohexyl-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCNC(C(=O)O)(C2CCCCC2)C1
InChIInChI=1S/C13H23NO2/c1-10-7-8-14-13(9-10,12(15)16)11-5-3-2-4-6-11/h10-11,14H,2-9H2,1H3,(H,15,16)
InChIKeyRIBMCSHQFFUYMU-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-1,4-oxazepane-3-carboxylic acid
CID 105466758
3-cyclodecyldiazecane-3-carboxylic acid
CID 150459490
2-(3,3-dimethyl-2-oxobutanoyl)-4-methylpiperidine-2-carboxylic acid
CID 123909575
(2R,3aR,7aR)-2-methyl-1,2,3,3a,4,5,6,7-octahydroindole-7a-carboxylic acid
CID 132585174
[(1R,3R)-1-cyclohexyl-3-methylcyclopentyl]methanol
CID 134970135
(4S)-2-(4-boronobutyl)-4-methylpiperidine-2-carboxylic acid
CID 165064850
8-methyl-5-azaspiro[3.5]nonane
CID 89432250
(7R)-7-methyl-4-azaspiro[2.5]octane
CID 155722557
1-cyclohexyl-3-methylcyclopentan-1-ol
CID 64515969
1-cycloheptyl-3-hydroxycyclobutane-1-carboxylic acid
CID 115027968
ethane;(8S)-8-methyl-5-azaspiro[3.5]nonane
CID 169125658
methyl 2-azabicyclo[3.2.0]heptane-1-carboxylate;hydrochloride
CID 165496032

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 2-cyclohexyl-4-methylpiperidine-2-carboxylic acid (CID 22406303) is 2-cyclohexyl-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 2-cyclohexyl-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 2-cyclohexyl-4-methylpiperidine-2-carboxylic acid is CC1CCNC(C(=O)O)(C2CCCCC2)C1.
What is the InChIKey of 2-cyclohexyl-4-methylpiperidine-2-carboxylic acid?
The InChIKey is RIBMCSHQFFUYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-7-8-14-13(9-10,12(15)16)11-5-3-2-4-6-11/h10-11,14H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-cyclohexyl-4-methylpiperidine-2-carboxylic acid?
2-cyclohexyl-4-methylpiperidine-2-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 22406303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).