[1-(4-ethoxypiperidin-1-yl)-3,5-dimethylcyclohexyl]methanamine

C16H32N2O — CID 64751461

IUPAC[1-(4-ethoxypiperidin-1-yl)-3,5-dimethylcyclohexyl]methanamine
SMILESCCOC1CCN(C2(CN)CC(C)CC(C)C2)CC1
InChIInChI=1S/C16H32N2O/c1-4-19-15-5-7-18(8-6-15)16(12-17)10-13(2)9-14(3)11-16/h13-15H,4-12,17H2,1-3H3
InChIKeyXTOAISDDROHCOJ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.64
Rot. Bonds4

About [1-(4-ethoxypiperidin-1-yl)-3,5-dimethylcyclohexyl]methanamine

[1-(4-ethoxypiperidin-1-yl)-3,5-dimethylcyclohexyl]methanamine (PubChem CID 64751461) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [1-(4-ethoxypiperidin-1-yl)-3,5-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-ethoxypiperidin-1-yl)-3,5-dimethylcyclohexyl]methanamine
PubChem CID64751461
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[1-(4-ethoxypiperidin-1-yl)-3,5-dimethylcyclohexyl]methanamine
SMILESCCOC1CCN(C2(CN)CC(C)CC(C)C2)CC1
InChIInChI=1S/C16H32N2O/c1-4-19-15-5-7-18(8-6-15)16(12-17)10-13(2)9-14(3)11-16/h13-15H,4-12,17H2,1-3H3
InChIKeyXTOAISDDROHCOJ-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methanamine
CID 103494626
[1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine
CID 103562756
[1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-ethoxycyclobutyl]methanamine
CID 106821889
[3,5-dimethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine
CID 64752644
[1-(4-ethoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine
CID 61218986
[3-ethoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methanamine
CID 106822190
[1-(4,4-diethylpiperidin-1-yl)-3-methylcyclobutyl]methanamine
CID 103562886
[3-methyl-1-(4-propylazepan-1-yl)cyclobutyl]methanamine
CID 103562947
[3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine
CID 106822368
[1-(4-ethoxypiperidin-1-yl)-2-ethylcyclopentyl]methanamine
CID 113483717
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylcyclobutyl]methanamine
CID 103562954
[1-(1,3-dihydroisoindol-2-yl)-3-ethoxycyclobutyl]methanamine
CID 106821998

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxypiperidin-1-yl)-3,5-dimethylcyclohexyl]methanamine?
The IUPAC name of [1-(4-ethoxypiperidin-1-yl)-3,5-dimethylcyclohexyl]methanamine (CID 64751461) is [1-(4-ethoxypiperidin-1-yl)-3,5-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(4-ethoxypiperidin-1-yl)-3,5-dimethylcyclohexyl]methanamine?
The canonical SMILES for [1-(4-ethoxypiperidin-1-yl)-3,5-dimethylcyclohexyl]methanamine is CCOC1CCN(C2(CN)CC(C)CC(C)C2)CC1.
What is the InChIKey of [1-(4-ethoxypiperidin-1-yl)-3,5-dimethylcyclohexyl]methanamine?
The InChIKey is XTOAISDDROHCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-19-15-5-7-18(8-6-15)16(12-17)10-13(2)9-14(3)11-16/h13-15H,4-12,17H2,1-3H3.
What are the key properties of [1-(4-ethoxypiperidin-1-yl)-3,5-dimethylcyclohexyl]methanamine?
[1-(4-ethoxypiperidin-1-yl)-3,5-dimethylcyclohexyl]methanamine has a molecular weight of 268.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxypiperidin-1-yl)-3,5-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 64751461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).