2-[4-(2,4-dimethylpentyl)piperazin-1-yl]propanenitrile

C14H27N3 — CID 114200203

IUPAC2-[4-(2,4-dimethylpentyl)piperazin-1-yl]propanenitrile
SMILESCC(C)CC(C)CN1CCN(C(C)C#N)CC1
InChIInChI=1S/C14H27N3/c1-12(2)9-13(3)11-16-5-7-17(8-6-16)14(4)10-15/h12-14H,5-9,11H2,1-4H3
InChIKeyVAFOLVZUSJMCHC-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.20
Rot. Bonds5

About 2-[4-(2,4-dimethylpentyl)piperazin-1-yl]propanenitrile

2-[4-(2,4-dimethylpentyl)piperazin-1-yl]propanenitrile (PubChem CID 114200203) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[4-(2,4-dimethylpentyl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-(2,4-dimethylpentyl)piperazin-1-yl]propanenitrile
PubChem CID114200203
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-[4-(2,4-dimethylpentyl)piperazin-1-yl]propanenitrile
SMILESCC(C)CC(C)CN1CCN(C(C)C#N)CC1
InChIInChI=1S/C14H27N3/c1-12(2)9-13(3)11-16-5-7-17(8-6-16)14(4)10-15/h12-14H,5-9,11H2,1-4H3
InChIKeyVAFOLVZUSJMCHC-UHFFFAOYSA-N
XLogP2.20
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-Dimethylpiperidin-1-yl)acetonitrile
CID 22688895
4-Dimethylamino-1,3-dimethylpiperidine
CID 119028717
2-[(3S)-4-(cyanomethyl)-3-propylpiperazin-1-yl]acetonitrile
CID 96535728
4-[[(3S)-3,4-dimethylpiperazin-1-yl]methyl]-4-ethylhexanenitrile
CID 164641985
(+/-)-2-[2-[(Dipropylamino)methyl]piperidin-1-yl]acetonitrile
CID 10490074
3-Ethyl-1-methylpiperidine-2-carbonitrile
CID 12581464
4-Methyl-5-piperidin-1-ylpentanenitrile
CID 134994338
1,4-Bis(4-methylpentan-2-yl)piperazine
CID 3064079
3,3,3-Trifluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]propanenitrile
CID 103367866
2-[[3-(Dimethylamino)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile
CID 103367948
N-[2-(3-fluoro-3-methylpiperidin-1-yl)ethyl]-N-methylpropan-2-amine
CID 161015132
1-(tert-Butyl)-2-cyano-3-methyl-piperidine
CID 596551

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethylpentyl)piperazin-1-yl]propanenitrile?
The IUPAC name of 2-[4-(2,4-dimethylpentyl)piperazin-1-yl]propanenitrile (CID 114200203) is 2-[4-(2,4-dimethylpentyl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-(2,4-dimethylpentyl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-[4-(2,4-dimethylpentyl)piperazin-1-yl]propanenitrile is CC(C)CC(C)CN1CCN(C(C)C#N)CC1.
What is the InChIKey of 2-[4-(2,4-dimethylpentyl)piperazin-1-yl]propanenitrile?
The InChIKey is VAFOLVZUSJMCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-12(2)9-13(3)11-16-5-7-17(8-6-16)14(4)10-15/h12-14H,5-9,11H2,1-4H3.
What are the key properties of 2-[4-(2,4-dimethylpentyl)piperazin-1-yl]propanenitrile?
2-[4-(2,4-dimethylpentyl)piperazin-1-yl]propanenitrile has a molecular weight of 237.39 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethylpentyl)piperazin-1-yl]propanenitrile is sourced from PubChem (CID 114200203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).