2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile

C14H25N3 — CID 63028154

IUPAC2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile
SMILESCC1CCN(CCC(C#N)NC2CC2)C(C)C1
InChIInChI=1S/C14H25N3/c1-11-5-7-17(12(2)9-11)8-6-14(10-15)16-13-3-4-13/h11-14,16H,3-9H2,1-2H3
InChIKeyXJZZPXPZUAMCDZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.14
Rot. Bonds5

About 2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile

2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile (PubChem CID 63028154) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile
PubChem CID63028154
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile
SMILESCC1CCN(CCC(C#N)NC2CC2)C(C)C1
InChIInChI=1S/C14H25N3/c1-11-5-7-17(12(2)9-11)8-6-14(10-15)16-13-3-4-13/h11-14,16H,3-9H2,1-2H3
InChIKeyXJZZPXPZUAMCDZ-UHFFFAOYSA-N
XLogP2.14
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile?
The IUPAC name of 2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile (CID 63028154) is 2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile is CC1CCN(CCC(C#N)NC2CC2)C(C)C1.
What is the InChIKey of 2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile?
The InChIKey is XJZZPXPZUAMCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-11-5-7-17(12(2)9-11)8-6-14(10-15)16-13-3-4-13/h11-14,16H,3-9H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile?
2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile has a molecular weight of 235.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile is sourced from PubChem (CID 63028154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).