2-[(4-methoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine

C17H34N2O — CID 62615391

IUPAC2-[(4-methoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1CN1CCC(OC)CC1
InChIInChI=1S/C17H34N2O/c1-4-9-18-17-6-5-14(2)12-15(17)13-19-10-7-16(20-3)8-11-19/h14-18H,4-13H2,1-3H3
InChIKeyAVSDMVGVJQSDFH-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds6

About 2-[(4-methoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine

2-[(4-methoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine (PubChem CID 62615391) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-[(4-methoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4-methoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
PubChem CID62615391
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-[(4-methoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1CN1CCC(OC)CC1
InChIInChI=1S/C17H34N2O/c1-4-9-18-17-6-5-14(2)12-15(17)13-19-10-7-16(20-3)8-11-19/h14-18H,4-13H2,1-3H3
InChIKeyAVSDMVGVJQSDFH-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine
CID 62614642
2-[(4,4-dimethylpiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63495442
2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 62609331
4-methyl-1-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol
CID 81116004
2-[(3-ethoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 62609685
2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63635303
2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 62616066
2-(4-methoxypiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64725027
N-ethyl-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-amine
CID 64581779
4-[(3-methoxypyrrolidin-1-yl)methyl]-N-propyloxolan-3-amine
CID 103534665
[4-[[5-methyl-2-(propylamino)cyclohexyl]methyl]morpholin-2-yl]methanol
CID 81214226
1-[[5-propyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol
CID 62614801

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[(4-methoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine (CID 62615391) is 2-[(4-methoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(4-methoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(4-methoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine is CCCNC1CCC(C)CC1CN1CCC(OC)CC1.
What is the InChIKey of 2-[(4-methoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine?
The InChIKey is AVSDMVGVJQSDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-9-18-17-6-5-14(2)12-15(17)13-19-10-7-16(20-3)8-11-19/h14-18H,4-13H2,1-3H3.
What are the key properties of 2-[(4-methoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine?
2-[(4-methoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 6 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)methyl]-4-methyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 62615391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).