(4-methylcyclohexyl) 2-methylpiperidine-2-carboxylate

C14H25NO2 — CID 104597712

IUPAC(4-methylcyclohexyl) 2-methylpiperidine-2-carboxylate
SMILESCC1CCC(OC(=O)C2(C)CCCCN2)CC1
InChIInChI=1S/C14H25NO2/c1-11-5-7-12(8-6-11)17-13(16)14(2)9-3-4-10-15-14/h11-12,15H,3-10H2,1-2H3
InChIKeyXVNMMKZFGQSOCF-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.64
Rot. Bonds2

About (4-methylcyclohexyl) 2-methylpiperidine-2-carboxylate

(4-methylcyclohexyl) 2-methylpiperidine-2-carboxylate (PubChem CID 104597712) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (4-methylcyclohexyl) 2-methylpiperidine-2-carboxylate.

Molecular Properties

Compound Name(4-methylcyclohexyl) 2-methylpiperidine-2-carboxylate
PubChem CID104597712
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(4-methylcyclohexyl) 2-methylpiperidine-2-carboxylate
SMILESCC1CCC(OC(=O)C2(C)CCCCN2)CC1
InChIInChI=1S/C14H25NO2/c1-11-5-7-12(8-6-11)17-13(16)14(2)9-3-4-10-15-14/h11-12,15H,3-10H2,1-2H3
InChIKeyXVNMMKZFGQSOCF-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-methylcyclohexyl) 2-methylpiperidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5-dimethylcyclohexyl) 2-methylpyrrolidine-2-carboxylate
CID 64732817
cyclopropylmethyl 2-methylpiperidine-2-carboxylate
CID 104597704
(4-methylcyclohexyl) 1-(aminomethyl)cyclohexane-1-carboxylate
CID 115436617
ethyl (2S)-2-methylpyrrolidine-2-carboxylate
CID 45115906
2-cyclopropylethyl 2-methylpyrrolidine-2-carboxylate
CID 106202469
N-cycloheptyl-2-methylpiperidine-2-carboxamide
CID 113368551
4-methylpentyl 2-methylpiperidine-2-carboxylate
CID 104597728
N-cycloheptyl-N,2-dimethylpiperidine-2-carboxamide
CID 104596167
4-methyl-1-(2-methylpiperidine-2-carbonyl)piperidine-2-carboxylic acid
CID 114424707
2-methyl-N-(2-methylpiperidin-4-yl)piperidine-2-carboxamide
CID 122081327
2-methyl-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 104596985
(4-methylcyclohexyl) carbamate
CID 22083226

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl) 2-methylpiperidine-2-carboxylate?
The IUPAC name of (4-methylcyclohexyl) 2-methylpiperidine-2-carboxylate (CID 104597712) is (4-methylcyclohexyl) 2-methylpiperidine-2-carboxylate.
What is the SMILES notation for (4-methylcyclohexyl) 2-methylpiperidine-2-carboxylate?
The canonical SMILES for (4-methylcyclohexyl) 2-methylpiperidine-2-carboxylate is CC1CCC(OC(=O)C2(C)CCCCN2)CC1.
What is the InChIKey of (4-methylcyclohexyl) 2-methylpiperidine-2-carboxylate?
The InChIKey is XVNMMKZFGQSOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11-5-7-12(8-6-11)17-13(16)14(2)9-3-4-10-15-14/h11-12,15H,3-10H2,1-2H3.
What are the key properties of (4-methylcyclohexyl) 2-methylpiperidine-2-carboxylate?
(4-methylcyclohexyl) 2-methylpiperidine-2-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl) 2-methylpiperidine-2-carboxylate is sourced from PubChem (CID 104597712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).