3-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)propanenitrile

C13H25N3O — CID 106588520

IUPAC3-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)CN1CCCC(COC)C1
InChIInChI=1S/C13H25N3O/c1-3-6-15-13(8-14)10-16-7-4-5-12(9-16)11-17-2/h12-13,15H,3-7,9-11H2,1-2H3
InChIKeyVRZHIRJBFCSOAV-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.24
Rot. Bonds7

About 3-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)propanenitrile

3-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)propanenitrile (PubChem CID 106588520) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name3-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)propanenitrile
PubChem CID106588520
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)CN1CCCC(COC)C1
InChIInChI=1S/C13H25N3O/c1-3-6-15-13(8-14)10-16-7-4-5-12(9-16)11-17-2/h12-13,15H,3-7,9-11H2,1-2H3
InChIKeyVRZHIRJBFCSOAV-UHFFFAOYSA-N
XLogP1.24
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine
CID 106586522
1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine
CID 64569510
N-[1-cyclopentyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]propan-1-amine
CID 104746508
3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 107394634
4-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)butanamide
CID 106588626
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]pentane-1-thiol
CID 106590062
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate
CID 64583946
4-(4-methylazepan-1-yl)-2-(propylamino)butanenitrile
CID 63622118
3-(8-azaspiro[4.5]decan-8-yl)-2-(propylamino)propanenitrile
CID 63159213
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]butane-1-thiol
CID 106590065
1-cyclopentyl-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 103274721
4-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)butanenitrile
CID 63028152

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)propanenitrile?
The IUPAC name of 3-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)propanenitrile (CID 106588520) is 3-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)propanenitrile.
What is the SMILES notation for 3-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)propanenitrile?
The canonical SMILES for 3-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)propanenitrile is CCCNC(C#N)CN1CCCC(COC)C1.
What is the InChIKey of 3-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)propanenitrile?
The InChIKey is VRZHIRJBFCSOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-6-15-13(8-14)10-16-7-4-5-12(9-16)11-17-2/h12-13,15H,3-7,9-11H2,1-2H3.
What are the key properties of 3-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)propanenitrile?
3-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)propanenitrile has a molecular weight of 239.36 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)propanenitrile is sourced from PubChem (CID 106588520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).