(2-methylcyclohexyl) 4-ethylpiperidine-4-carboxylate

C15H27NO2 — CID 55179314

IUPAC(2-methylcyclohexyl) 4-ethylpiperidine-4-carboxylate
SMILESCCC1(C(=O)OC2CCCCC2C)CCNCC1
InChIInChI=1S/C15H27NO2/c1-3-15(8-10-16-11-9-15)14(17)18-13-7-5-4-6-12(13)2/h12-13,16H,3-11H2,1-2H3
InChIKeyDHKFYUOPNZPELP-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.89
Rot. Bonds3

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

(2-methylcyclohexyl) 4-ethylpiperidine-4-carboxylate (PubChem CID 55179314) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (2-methylcyclohexyl) 4-ethylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(2-methylcyclohexyl) 4-ethylpiperidine-4-carboxylate
PubChem CID55179314
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(2-methylcyclohexyl) 4-ethylpiperidine-4-carboxylate
SMILESCCC1(C(=O)OC2CCCCC2C)CCNCC1
InChIInChI=1S/C15H27NO2/c1-3-15(8-10-16-11-9-15)14(17)18-13-7-5-4-6-12(13)2/h12-13,16H,3-11H2,1-2H3
InChIKeyDHKFYUOPNZPELP-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

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Related Compounds

(2-methylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate
CID 115446210
4-ethyl-N-methyl-N-(2-methylcyclohexyl)piperidine-4-carboxamide
CID 63128396
(2-methylcyclohexyl) 4-(aminomethyl)oxane-4-carboxylate
CID 115440228
(2-methylcyclohexyl) piperidine-4-carboxylate
CID 61277227
propyl 4-ethylpiperidine-4-carboxylate
CID 63125915
N-cyclopropyl-N,4-diethylpiperidine-4-carboxamide
CID 63127607
1,2,3,4-tetrahydronaphthalen-1-yl 4-ethylpiperidine-4-carboxylate
CID 63125791
2-cyclohexyl-1-(4-ethylpiperidin-4-yl)ethanone
CID 116568088
N-cyclooctyl-4-ethylpiperidine-4-carboxamide
CID 63127199
[(1S,2R)-2-methylcyclohexyl] butanoate
CID 91695904
4-ethyl-N-methyl-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 63128518
(3,4-dimethoxypyrrolidin-1-yl)-(4-ethylpiperidin-4-yl)methanone
CID 103533229

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexyl) 4-ethylpiperidine-4-carboxylate?
The IUPAC name of (2-methylcyclohexyl) 4-ethylpiperidine-4-carboxylate (CID 55179314) is (2-methylcyclohexyl) 4-ethylpiperidine-4-carboxylate.
What is the SMILES notation for (2-methylcyclohexyl) 4-ethylpiperidine-4-carboxylate?
The canonical SMILES for (2-methylcyclohexyl) 4-ethylpiperidine-4-carboxylate is CCC1(C(=O)OC2CCCCC2C)CCNCC1.
What is the InChIKey of (2-methylcyclohexyl) 4-ethylpiperidine-4-carboxylate?
The InChIKey is DHKFYUOPNZPELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-15(8-10-16-11-9-15)14(17)18-13-7-5-4-6-12(13)2/h12-13,16H,3-11H2,1-2H3.
What are the key properties of (2-methylcyclohexyl) 4-ethylpiperidine-4-carboxylate?
(2-methylcyclohexyl) 4-ethylpiperidine-4-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-methylcyclohexyl) 4-ethylpiperidine-4-carboxylate is sourced from PubChem (CID 55179314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).