2-(4-methoxypiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine

C17H34N2O — CID 64725027

IUPAC2-(4-methoxypiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1N1CCC(OC)CC1
InChIInChI=1S/C17H34N2O/c1-5-8-18-16-12-13(2)11-14(3)17(16)19-9-6-15(20-4)7-10-19/h13-18H,5-12H2,1-4H3
InChIKeyDEAZLTVEOUNWRU-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds5

About 2-(4-methoxypiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine

2-(4-methoxypiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 64725027) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-(4-methoxypiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-methoxypiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
PubChem CID64725027
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-(4-methoxypiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1N1CCC(OC)CC1
InChIInChI=1S/C17H34N2O/c1-5-8-18-16-12-13(2)11-14(3)17(16)19-9-6-15(20-4)7-10-19/h13-18H,5-12H2,1-4H3
InChIKeyDEAZLTVEOUNWRU-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(4-methoxypiperidin-1-yl)-3,5-dimethylcyclohexan-1-amine
CID 64722404
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 115559618
2-(3-ethylpiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64723017
2-[(4-methoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 62615391
1-[2,4-dimethyl-6-(propylamino)cyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81452258
2-cyclobutyloxy-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64752391
N-ethyl-3,5-dimethyl-2-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine
CID 64750791
2-(azepan-1-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736211
2-[4-(methoxymethyl)piperidin-1-yl]-N,3,5-trimethylcyclohexan-1-amine
CID 64752559
2-(cyclohexylmethoxy)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64753382
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64752539
2-(3-methoxy-4-methylpiperidin-1-yl)-N-propylcyclooctan-1-amine
CID 102965411

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(4-methoxypiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine (CID 64725027) is 2-(4-methoxypiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-methoxypiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(4-methoxypiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine is CCCNC1CC(C)CC(C)C1N1CCC(OC)CC1.
What is the InChIKey of 2-(4-methoxypiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is DEAZLTVEOUNWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-8-18-16-12-13(2)11-14(3)17(16)19-9-6-15(20-4)7-10-19/h13-18H,5-12H2,1-4H3.
What are the key properties of 2-(4-methoxypiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
2-(4-methoxypiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64725027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).