2-amino-4-[4-(dimethylamino)piperidin-1-yl]butanenitrile

C11H22N4 — CID 63027921

IUPAC2-amino-4-[4-(dimethylamino)piperidin-1-yl]butanenitrile
SMILESCN(C)C1CCN(CCC(N)C#N)CC1
InChIInChI=1S/C11H22N4/c1-14(2)11-4-7-15(8-5-11)6-3-10(13)9-12/h10-11H,3-8,13H2,1-2H3
InChIKeyDXSOGCJCGWZYTI-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.25
Rot. Bonds4

About 2-amino-4-[4-(dimethylamino)piperidin-1-yl]butanenitrile

2-amino-4-[4-(dimethylamino)piperidin-1-yl]butanenitrile (PubChem CID 63027921) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-amino-4-[4-(dimethylamino)piperidin-1-yl]butanenitrile.

Molecular Properties

Compound Name2-amino-4-[4-(dimethylamino)piperidin-1-yl]butanenitrile
PubChem CID63027921
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-amino-4-[4-(dimethylamino)piperidin-1-yl]butanenitrile
SMILESCN(C)C1CCN(CCC(N)C#N)CC1
InChIInChI=1S/C11H22N4/c1-14(2)11-4-7-15(8-5-11)6-3-10(13)9-12/h10-11H,3-8,13H2,1-2H3
InChIKeyDXSOGCJCGWZYTI-UHFFFAOYSA-N
XLogP0.25
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(4-tert-butylpiperidin-1-yl)butanenitrile
CID 63027559
3-[4-(dimethylamino)piperidin-1-yl]propanenitrile
CID 43430781
2-amino-4-(3,4,5-trimethylpiperazin-1-yl)butanenitrile
CID 114539222
1-amino-4-[4-(dimethylamino)piperidin-1-yl]butan-2-ol
CID 64821111
2-amino-4-(3-ethylpiperidin-1-yl)butanenitrile
CID 63028493
2-amino-4-(1-oxo-1,4-thiazinan-4-yl)butanenitrile
CID 63030266
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-aminobutanenitrile
CID 79943861
2-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanenitrile
CID 63273995
4-[4-(dimethylamino)piperidin-1-yl]-2-(methylamino)butanamide
CID 63028069
4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butan-1-ol
CID 64796209
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanenitrile
CID 63165286
1-(2-amino-3,3-dimethylbutyl)-N,N-dimethylpiperidin-4-amine
CID 43585962

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(dimethylamino)piperidin-1-yl]butanenitrile?
The IUPAC name of 2-amino-4-[4-(dimethylamino)piperidin-1-yl]butanenitrile (CID 63027921) is 2-amino-4-[4-(dimethylamino)piperidin-1-yl]butanenitrile.
What is the SMILES notation for 2-amino-4-[4-(dimethylamino)piperidin-1-yl]butanenitrile?
The canonical SMILES for 2-amino-4-[4-(dimethylamino)piperidin-1-yl]butanenitrile is CN(C)C1CCN(CCC(N)C#N)CC1.
What is the InChIKey of 2-amino-4-[4-(dimethylamino)piperidin-1-yl]butanenitrile?
The InChIKey is DXSOGCJCGWZYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-14(2)11-4-7-15(8-5-11)6-3-10(13)9-12/h10-11H,3-8,13H2,1-2H3.
What are the key properties of 2-amino-4-[4-(dimethylamino)piperidin-1-yl]butanenitrile?
2-amino-4-[4-(dimethylamino)piperidin-1-yl]butanenitrile has a molecular weight of 210.32 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(dimethylamino)piperidin-1-yl]butanenitrile is sourced from PubChem (CID 63027921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).