2-cyclopropyl-3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanenitrile

C14H25N3O — CID 63971203

IUPAC2-cyclopropyl-3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanenitrile
SMILESCNC(C#N)(CN1CCC(COC)CC1)C1CC1
InChIInChI=1S/C14H25N3O/c1-16-14(10-15,13-3-4-13)11-17-7-5-12(6-8-17)9-18-2/h12-13,16H,3-9,11H2,1-2H3
InChIKeyXGGIEBFOJLYZBV-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.24
Rot. Bonds6

About 2-cyclopropyl-3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanenitrile

2-cyclopropyl-3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanenitrile (PubChem CID 63971203) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-cyclopropyl-3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanenitrile
PubChem CID63971203
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-cyclopropyl-3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanenitrile
SMILESCNC(C#N)(CN1CCC(COC)CC1)C1CC1
InChIInChI=1S/C14H25N3O/c1-16-14(10-15,13-3-4-13)11-17-7-5-12(6-8-17)9-18-2/h12-13,16H,3-9,11H2,1-2H3
InChIKeyXGGIEBFOJLYZBV-UHFFFAOYSA-N
XLogP1.24
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(methylamino)-3-morpholin-4-ylpropanenitrile
CID 63914583
2-cyclopropyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)propanenitrile
CID 63912881
2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(methylamino)propanenitrile
CID 79184284
2-cyclopropyl-3-(4-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 63913937
2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(methylamino)propanenitrile
CID 63914585
2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile
CID 63912431
3-(cyclohexylmethoxy)-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63905913
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanenitrile
CID 79934812
ethyl 3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(methylamino)propanoate
CID 63971227
2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(methylamino)propanenitrile
CID 104564908
2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethylpyrrolidin-1-yl)propanenitrile
CID 113418576
N-tert-butyl-3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
CID 63973765

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanenitrile (CID 63971203) is 2-cyclopropyl-3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanenitrile is CNC(C#N)(CN1CCC(COC)CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanenitrile?
The InChIKey is XGGIEBFOJLYZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-16-14(10-15,13-3-4-13)11-17-7-5-12(6-8-17)9-18-2/h12-13,16H,3-9,11H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanenitrile?
2-cyclopropyl-3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanenitrile has a molecular weight of 251.37 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanenitrile is sourced from PubChem (CID 63971203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).