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

C17H32N2O2 — CID 83044318

IUPACmethyl 1-(methylamino)-3-(2-propylpiperidin-1-yl)cyclohexane-1-carboxylate
SMILESCCCC1CCCCN1C1CCCC(NC)(C(=O)OC)C1
InChIInChI=1S/C17H32N2O2/c1-4-8-14-9-5-6-12-19(14)15-10-7-11-17(13-15,18-2)16(20)21-3/h14-15,18H,4-13H2,1-3H3
InChIKeyMWTGGWVKNQASDR-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.71
Rot. Bonds5

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

methyl 1-(methylamino)-3-(2-propylpiperidin-1-yl)cyclohexane-1-carboxylate (PubChem CID 83044318) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is methyl 1-(methylamino)-3-(2-propylpiperidin-1-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(methylamino)-3-(2-propylpiperidin-1-yl)cyclohexane-1-carboxylate
PubChem CID83044318
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Namemethyl 1-(methylamino)-3-(2-propylpiperidin-1-yl)cyclohexane-1-carboxylate
SMILESCCCC1CCCCN1C1CCCC(NC)(C(=O)OC)C1
InChIInChI=1S/C17H32N2O2/c1-4-8-14-9-5-6-12-19(14)15-10-7-11-17(13-15,18-2)16(20)21-3/h14-15,18H,4-13H2,1-3H3
InChIKeyMWTGGWVKNQASDR-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79636980
methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylate
CID 79654810
ethyl 3-(2-ethylpyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79636182
ethyl 1-(methylamino)-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylate
CID 79637035
1-amino-3-(2-propylpiperidin-1-yl)cyclohexane-1-carboxamide
CID 83062060
methyl 1-amino-3-(2-ethylazepan-1-yl)cyclohexane-1-carboxylate
CID 104691659
ethyl 1-(methylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79636107
(2S)-1-cyclopentyl-2-propylpiperidine
CID 170635716
methyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate
CID 79649918
methyl 1-(ethylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79636339
3-(2-ethylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79626937
[1-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)cyclohexyl]methanol
CID 83046688

Frequently Asked Questions

What is the IUPAC name of methyl 1-(methylamino)-3-(2-propylpiperidin-1-yl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(methylamino)-3-(2-propylpiperidin-1-yl)cyclohexane-1-carboxylate (CID 83044318) is methyl 1-(methylamino)-3-(2-propylpiperidin-1-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(methylamino)-3-(2-propylpiperidin-1-yl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(methylamino)-3-(2-propylpiperidin-1-yl)cyclohexane-1-carboxylate is CCCC1CCCCN1C1CCCC(NC)(C(=O)OC)C1.
What is the InChIKey of methyl 1-(methylamino)-3-(2-propylpiperidin-1-yl)cyclohexane-1-carboxylate?
The InChIKey is MWTGGWVKNQASDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-8-14-9-5-6-12-19(14)15-10-7-11-17(13-15,18-2)16(20)21-3/h14-15,18H,4-13H2,1-3H3.
What are the key properties of methyl 1-(methylamino)-3-(2-propylpiperidin-1-yl)cyclohexane-1-carboxylate?
methyl 1-(methylamino)-3-(2-propylpiperidin-1-yl)cyclohexane-1-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(methylamino)-3-(2-propylpiperidin-1-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 83044318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).