methyl 1-(2-ethylcyclohexyl)piperidine-3-carboxylate

C15H27NO2 — CID 115537102

IUPACmethyl 1-(2-ethylcyclohexyl)piperidine-3-carboxylate
SMILESCCC1CCCCC1N1CCCC(C(=O)OC)C1
InChIInChI=1S/C15H27NO2/c1-3-12-7-4-5-9-14(12)16-10-6-8-13(11-16)15(17)18-2/h12-14H,3-11H2,1-2H3
InChIKeyWPGQJNIUURIVHU-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.84
Rot. Bonds3

About methyl 1-(2-ethylcyclohexyl)piperidine-3-carboxylate

methyl 1-(2-ethylcyclohexyl)piperidine-3-carboxylate (PubChem CID 115537102) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is methyl 1-(2-ethylcyclohexyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-ethylcyclohexyl)piperidine-3-carboxylate
PubChem CID115537102
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Namemethyl 1-(2-ethylcyclohexyl)piperidine-3-carboxylate
SMILESCCC1CCCCC1N1CCCC(C(=O)OC)C1
InChIInChI=1S/C15H27NO2/c1-3-12-7-4-5-9-14(12)16-10-6-8-13(11-16)15(17)18-2/h12-14H,3-11H2,1-2H3
InChIKeyWPGQJNIUURIVHU-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(2-hydroxycyclopentyl)piperidine-3-carboxylate
CID 115537096
1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 20980731
2-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid
CID 106814125
methyl 1-(2-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxylate
CID 112632727
1-(2-ethylcyclohexyl)-N-methylpyrrolidin-3-amine
CID 61470287
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661
methyl 1-piperidin-4-ylpiperidine-3-carboxylate
CID 44607682
methyl 1-(cyclopentylmethyl)piperidine-3-carboxylate
CID 78921285
N-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methyl]propan-2-amine
CID 63863250
methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate
CID 14350171
ethyl 1-(2-cyanocyclohexyl)piperidine-3-carboxylate
CID 43291775
[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl (2S)-2-chlorobutanoate
CID 11873269

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-ethylcyclohexyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(2-ethylcyclohexyl)piperidine-3-carboxylate (CID 115537102) is methyl 1-(2-ethylcyclohexyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-ethylcyclohexyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-ethylcyclohexyl)piperidine-3-carboxylate is CCC1CCCCC1N1CCCC(C(=O)OC)C1.
What is the InChIKey of methyl 1-(2-ethylcyclohexyl)piperidine-3-carboxylate?
The InChIKey is WPGQJNIUURIVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-12-7-4-5-9-14(12)16-10-6-8-13(11-16)15(17)18-2/h12-14H,3-11H2,1-2H3.
What are the key properties of methyl 1-(2-ethylcyclohexyl)piperidine-3-carboxylate?
methyl 1-(2-ethylcyclohexyl)piperidine-3-carboxylate has a molecular weight of 253.39 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-ethylcyclohexyl)piperidine-3-carboxylate is sourced from PubChem (CID 115537102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).