3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile

C13H25N3O — CID 107394634

IUPAC3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)CN1CCCC(C)(OC)C1
InChIInChI=1S/C13H25N3O/c1-4-7-15-12(9-14)10-16-8-5-6-13(2,11-16)17-3/h12,15H,4-8,10-11H2,1-3H3
InChIKeyLRNUAMUXGFSLMO-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.38
Rot. Bonds6

About 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile

3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile (PubChem CID 107394634) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
PubChem CID107394634
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)CN1CCCC(C)(OC)C1
InChIInChI=1S/C13H25N3O/c1-4-7-15-12(9-14)10-16-8-5-6-13(2,11-16)17-3/h12,15H,4-8,10-11H2,1-3H3
InChIKeyLRNUAMUXGFSLMO-UHFFFAOYSA-N
XLogP1.38
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine
CID 107391840
2-(ethylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanenitrile
CID 107394626
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
2-(propylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanenitrile
CID 63634360
3-(8-azaspiro[4.5]decan-8-yl)-2-(propylamino)propanenitrile
CID 63159213
2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile
CID 107392603
3-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)propanenitrile
CID 106588520
1-(2,2-diethoxyethyl)-3-methoxy-3-methylpiperidine
CID 107393619
2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 107394663
1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol
CID 107394547
1-cyclohexyl-N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391751

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile?
The IUPAC name of 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile (CID 107394634) is 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile.
What is the SMILES notation for 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile?
The canonical SMILES for 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile is CCCNC(C#N)CN1CCCC(C)(OC)C1.
What is the InChIKey of 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile?
The InChIKey is LRNUAMUXGFSLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-7-15-12(9-14)10-16-8-5-6-13(2,11-16)17-3/h12,15H,4-8,10-11H2,1-3H3.
What are the key properties of 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile?
3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile has a molecular weight of 239.36 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile is sourced from PubChem (CID 107394634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).