1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine

C15H32N2O — CID 107391840

IUPAC1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC)CN1CCCC(C)(OC)C1
InChIInChI=1S/C15H32N2O/c1-5-8-14(16-10-6-2)12-17-11-7-9-15(3,13-17)18-4/h14,16H,5-13H2,1-4H3
InChIKeyJSIHRFDWFWBMFZ-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.66
Rot. Bonds8

About 1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine

1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine (PubChem CID 107391840) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine
PubChem CID107391840
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC)CN1CCCC(C)(OC)C1
InChIInChI=1S/C15H32N2O/c1-5-8-14(16-10-6-2)12-17-11-7-9-15(3,13-17)18-4/h14,16H,5-13H2,1-4H3
InChIKeyJSIHRFDWFWBMFZ-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 107394634
3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide
CID 107394805
4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 107395195
N-propyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine
CID 63610034
1-(2,2-diethoxyethyl)-3-methoxy-3-methylpiperidine
CID 107393619
1-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpentan-2-amine
CID 63468229
1-(8-azaspiro[4.5]decan-8-yl)-N-propylpentan-2-amine
CID 63469319
1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol
CID 107394547
1-(4,4-diethylpiperidin-1-yl)-N-propylpentan-2-amine
CID 63468589
1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine
CID 106586522
1-cyclohexyl-N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391751
2-(3-methoxy-3-methylpiperidin-1-yl)-N-methylethanamine
CID 107391084

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine?
The IUPAC name of 1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine (CID 107391840) is 1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine?
The canonical SMILES for 1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine is CCCNC(CCC)CN1CCCC(C)(OC)C1.
What is the InChIKey of 1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine?
The InChIKey is JSIHRFDWFWBMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-8-14(16-10-6-2)12-17-11-7-9-15(3,13-17)18-4/h14,16H,5-13H2,1-4H3.
What are the key properties of 1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine?
1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine has a molecular weight of 256.43 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 107391840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).