4-(3-methoxy-3-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine

C16H32N2O — CID 107396577

IUPAC4-(3-methoxy-3-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(N2CCCC(C)(OC)C2)CC1
InChIInChI=1S/C16H32N2O/c1-4-11-17-14-6-8-15(9-7-14)18-12-5-10-16(2,13-18)19-3/h14-15,17H,4-13H2,1-3H3
InChIKeyFIUGSFHFKWTVCK-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.80
Rot. Bonds5

About 4-(3-methoxy-3-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine

4-(3-methoxy-3-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine (PubChem CID 107396577) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 4-(3-methoxy-3-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-methoxy-3-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine
PubChem CID107396577
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name4-(3-methoxy-3-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(N2CCCC(C)(OC)C2)CC1
InChIInChI=1S/C16H32N2O/c1-4-11-17-14-6-8-15(9-7-14)18-12-5-10-16(2,13-18)19-3/h14-15,17H,4-13H2,1-3H3
InChIKeyFIUGSFHFKWTVCK-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-methoxy-3-methylpiperidin-1-yl)-1-(propylamino)cyclopentyl]methanol
CID 107395960
4-(2-azaspiro[3.3]heptan-2-yl)-N-propylcyclohexan-1-amine
CID 79687378
4-(4,4-diethylpiperidin-1-yl)-N-propylcyclohexan-1-amine
CID 114763283
N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)cyclooctan-1-amine
CID 107392190
4-(4-propan-2-ylazepan-1-yl)-N-propylcyclohexan-1-amine
CID 114763375
4-(4-ethylazepan-1-yl)-N-propylcyclohexan-1-amine
CID 114763370
4-[4-(methoxymethyl)piperidin-1-yl]-N-propylcyclohexan-1-amine
CID 114763353
2-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine
CID 107392083
ethyl 1-amino-3-(3-methoxy-3-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 107394788
4-(3-methylazetidin-1-yl)-N-propylcyclohexan-1-amine
CID 79687379
5-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylcyclopentan-1-amine
CID 107391771
1-(4-ethylpyrrolidin-3-yl)-3-methoxy-3-methylpiperidine
CID 107396240

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine?
The IUPAC name of 4-(3-methoxy-3-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine (CID 107396577) is 4-(3-methoxy-3-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-(3-methoxy-3-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-(3-methoxy-3-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine is CCCNC1CCC(N2CCCC(C)(OC)C2)CC1.
What is the InChIKey of 4-(3-methoxy-3-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine?
The InChIKey is FIUGSFHFKWTVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-11-17-14-6-8-15(9-7-14)18-12-5-10-16(2,13-18)19-3/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 4-(3-methoxy-3-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine?
4-(3-methoxy-3-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 107396577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).