methyl (2R)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate

C15H27NO2 — CID 115537940

IUPACmethyl (2R)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate
SMILESCCC1CCC(N2CCCC[C@@H]2C(=O)OC)CC1
InChIInChI=1S/C15H27NO2/c1-3-12-7-9-13(10-8-12)16-11-5-4-6-14(16)15(17)18-2/h12-14H,3-11H2,1-2H3/t12?,13?,14-/m1/s1
InChIKeyNRUDZIACAODQTP-JXQTWKCFSA-N
MW253.39 g/mol
LogP2.98
Rot. Bonds3

About methyl (2R)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate

methyl (2R)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate (PubChem CID 115537940) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is methyl (2R)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate
PubChem CID115537940
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Namemethyl (2R)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate
SMILESCCC1CCC(N2CCCC[C@@H]2C(=O)OC)CC1
InChIInChI=1S/C15H27NO2/c1-3-12-7-9-13(10-8-12)16-11-5-4-6-14(16)15(17)18-2/h12-14H,3-11H2,1-2H3/t12?,13?,14-/m1/s1
InChIKeyNRUDZIACAODQTP-JXQTWKCFSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (2R)-1-(4-ethylcyclohexyl)piperidine-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

methyl (2S)-1-cycloheptylpyrrolidine-2-carboxylate;propane
CID 178021629
1-(4-ethylcycloheptyl)piperidine-2-carboxylic acid
CID 65087297
methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylate
CID 45115998
1-(4-ethylcyclohexyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77054607
methyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate
CID 115279161
ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-4-carboxylate
CID 68891069
methyl 1-(3-methoxycyclohexyl)piperidine-2-carboxylate
CID 113330914
methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride
CID 163685796
methyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate
CID 115537818
ethyl (5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate
CID 10965477
ethyl 2-[4-[(2R)-2-methoxycarbonylpiperidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118303205
methyl 1-[2-(cyclopropylmethylamino)acetyl]piperidine-2-carboxylate
CID 54870307

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate (CID 115537940) is methyl (2R)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate is CCC1CCC(N2CCCC[C@@H]2C(=O)OC)CC1.
What is the InChIKey of methyl (2R)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate?
The InChIKey is NRUDZIACAODQTP-JXQTWKCFSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-12-7-9-13(10-8-12)16-11-5-4-6-14(16)15(17)18-2/h12-14H,3-11H2,1-2H3/t12?,13?,14-/m1/s1.
What are the key properties of methyl (2R)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate?
methyl (2R)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate has a molecular weight of 253.39 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate is sourced from PubChem (CID 115537940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).