(2-ethylcyclohexyl) 3-methylpiperidine-2-carboxylate

C15H27NO2 — CID 107071125

IUPAC(2-ethylcyclohexyl) 3-methylpiperidine-2-carboxylate
SMILESCCC1CCCCC1OC(=O)C1NCCCC1C
InChIInChI=1S/C15H27NO2/c1-3-12-8-4-5-9-13(12)18-15(17)14-11(2)7-6-10-16-14/h11-14,16H,3-10H2,1-2H3
InChIKeyMXESHUZTNJQRKO-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.89
Rot. Bonds3

About (2-ethylcyclohexyl) 3-methylpiperidine-2-carboxylate

(2-ethylcyclohexyl) 3-methylpiperidine-2-carboxylate (PubChem CID 107071125) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (2-ethylcyclohexyl) 3-methylpiperidine-2-carboxylate.

Molecular Properties

Compound Name(2-ethylcyclohexyl) 3-methylpiperidine-2-carboxylate
PubChem CID107071125
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(2-ethylcyclohexyl) 3-methylpiperidine-2-carboxylate
SMILESCCC1CCCCC1OC(=O)C1NCCCC1C
InChIInChI=1S/C15H27NO2/c1-3-12-8-4-5-9-13(12)18-15(17)14-11(2)7-6-10-16-14/h11-14,16H,3-10H2,1-2H3
InChIKeyMXESHUZTNJQRKO-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-ethylcyclohexyl) 3-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

(2-ethylcyclohexyl) (2S)-piperidine-2-carboxylate
CID 66263376
(2-methylcyclohexyl) pyrrolidine-2-carboxylate
CID 60716745
(2-ethylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate
CID 61276842
ethyl 3-ethylpiperidine-2-carboxylate
CID 144594238
1-(3-methylpiperidin-2-yl)ethanone
CID 54775356
1-[(2R,3S)-3-methylpiperidin-2-yl]ethanone
CID 95735292
3-methylbutan-2-yl 3-methylpiperidine-2-carboxylate
CID 107071163
(2-ethylcyclohexyl) 2-amino-3-methylbutanoate
CID 61277440
(2-ethylcyclohexyl) 2-aminopropanoate
CID 61277036
(2-ethylcyclohexyl) 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate
CID 102629636
ethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate
CID 45115923
(2-ethylcyclohexyl) 3-sulfanylpropanoate
CID 107018376

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl) 3-methylpiperidine-2-carboxylate?
The IUPAC name of (2-ethylcyclohexyl) 3-methylpiperidine-2-carboxylate (CID 107071125) is (2-ethylcyclohexyl) 3-methylpiperidine-2-carboxylate.
What is the SMILES notation for (2-ethylcyclohexyl) 3-methylpiperidine-2-carboxylate?
The canonical SMILES for (2-ethylcyclohexyl) 3-methylpiperidine-2-carboxylate is CCC1CCCCC1OC(=O)C1NCCCC1C.
What is the InChIKey of (2-ethylcyclohexyl) 3-methylpiperidine-2-carboxylate?
The InChIKey is MXESHUZTNJQRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-12-8-4-5-9-13(12)18-15(17)14-11(2)7-6-10-16-14/h11-14,16H,3-10H2,1-2H3.
What are the key properties of (2-ethylcyclohexyl) 3-methylpiperidine-2-carboxylate?
(2-ethylcyclohexyl) 3-methylpiperidine-2-carboxylate has a molecular weight of 253.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl) 3-methylpiperidine-2-carboxylate is sourced from PubChem (CID 107071125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).