[1-(3-methoxy-4-methylpiperidin-1-yl)-4-propylcyclohexyl]methanamine

C17H34N2O — CID 102964786

IUPAC[1-(3-methoxy-4-methylpiperidin-1-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(N2CCC(C)C(OC)C2)CC1
InChIInChI=1S/C17H34N2O/c1-4-5-15-6-9-17(13-18,10-7-15)19-11-8-14(2)16(12-19)20-3/h14-16H,4-13,18H2,1-3H3
InChIKeyJFEQCCSDEAWMNQ-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.03
Rot. Bonds5

About [1-(3-methoxy-4-methylpiperidin-1-yl)-4-propylcyclohexyl]methanamine

[1-(3-methoxy-4-methylpiperidin-1-yl)-4-propylcyclohexyl]methanamine (PubChem CID 102964786) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is [1-(3-methoxy-4-methylpiperidin-1-yl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-methoxy-4-methylpiperidin-1-yl)-4-propylcyclohexyl]methanamine
PubChem CID102964786
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name[1-(3-methoxy-4-methylpiperidin-1-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(N2CCC(C)C(OC)C2)CC1
InChIInChI=1S/C17H34N2O/c1-4-5-15-6-9-17(13-18,10-7-15)19-11-8-14(2)16(12-19)20-3/h14-16H,4-13,18H2,1-3H3
InChIKeyJFEQCCSDEAWMNQ-UHFFFAOYSA-N
XLogP3.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(3-methoxy-4-methylpiperidin-1-yl)-4-propylcyclohexyl]methanamine with MolForge

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Related Compounds

[3-ethyl-1-(3-methoxy-4-methylpiperidin-1-yl)cyclopentyl]methanamine
CID 102964836
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine
CID 65089250
[3,4-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 113417179
[1-(3-propylpyrrolidin-1-yl)cycloheptyl]methanamine
CID 113417185
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine
CID 79917366
[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propylcycloheptyl]methanamine
CID 104958066
[1-(3,4-dimethoxypyrrolidin-1-yl)-4-methylcycloheptyl]methanamine
CID 103531897
[4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine
CID 65084993
[4-propyl-1-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine
CID 114592435
[3,3-dimethyl-1-(4-propylpiperidin-1-yl)cyclopentyl]methanamine
CID 80705055
[1-(1,4-oxazepan-4-yl)-4-propylcycloheptyl]methanamine
CID 65089002
[2,3-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 113417186

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxy-4-methylpiperidin-1-yl)-4-propylcyclohexyl]methanamine?
The IUPAC name of [1-(3-methoxy-4-methylpiperidin-1-yl)-4-propylcyclohexyl]methanamine (CID 102964786) is [1-(3-methoxy-4-methylpiperidin-1-yl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [1-(3-methoxy-4-methylpiperidin-1-yl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [1-(3-methoxy-4-methylpiperidin-1-yl)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)(N2CCC(C)C(OC)C2)CC1.
What is the InChIKey of [1-(3-methoxy-4-methylpiperidin-1-yl)-4-propylcyclohexyl]methanamine?
The InChIKey is JFEQCCSDEAWMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-5-15-6-9-17(13-18,10-7-15)19-11-8-14(2)16(12-19)20-3/h14-16H,4-13,18H2,1-3H3.
What are the key properties of [1-(3-methoxy-4-methylpiperidin-1-yl)-4-propylcyclohexyl]methanamine?
[1-(3-methoxy-4-methylpiperidin-1-yl)-4-propylcyclohexyl]methanamine has a molecular weight of 282.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxy-4-methylpiperidin-1-yl)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 102964786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).