methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate

C16H30N2O2 — CID 79636980

IUPACmethyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
SMILESCCC1CCCCN1C1CCCC(NC)(C(=O)OC)C1
InChIInChI=1S/C16H30N2O2/c1-4-13-8-5-6-11-18(13)14-9-7-10-16(12-14,17-2)15(19)20-3/h13-14,17H,4-12H2,1-3H3
InChIKeyQUZYNPYODCOOKD-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.32
Rot. Bonds4

About methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate

methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate (PubChem CID 79636980) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
PubChem CID79636980
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Namemethyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
SMILESCCC1CCCCN1C1CCCC(NC)(C(=O)OC)C1
InChIInChI=1S/C16H30N2O2/c1-4-13-8-5-6-11-18(13)14-9-7-10-16(12-14,17-2)15(19)20-3/h13-14,17H,4-12H2,1-3H3
InChIKeyQUZYNPYODCOOKD-UHFFFAOYSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylate
CID 79654810
methyl 1-(methylamino)-3-(2-propylpiperidin-1-yl)cyclohexane-1-carboxylate
CID 83044318
ethyl 3-(2-ethylpyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79636182
methyl 1-amino-3-(2-ethylazepan-1-yl)cyclohexane-1-carboxylate
CID 104691659
methyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate
CID 79649918
ethyl 1-(methylamino)-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylate
CID 79637035
3-(2-ethylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79626937
ethyl 1-(methylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79636107
3-(2-ethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79636030
methyl 1-(ethylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79636339
methyl 3-(azocan-1-yl)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79628664
methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79633977

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate (CID 79636980) is methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate is CCC1CCCCN1C1CCCC(NC)(C(=O)OC)C1.
What is the InChIKey of methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate?
The InChIKey is QUZYNPYODCOOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-13-8-5-6-11-18(13)14-9-7-10-16(12-14,17-2)15(19)20-3/h13-14,17H,4-12H2,1-3H3.
What are the key properties of methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate?
methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 79636980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).