2-(4-hexylpiperazin-1-yl)pentanenitrile

C15H29N3 — CID 63339849

IUPAC2-(4-hexylpiperazin-1-yl)pentanenitrile
SMILESCCCCCCN1CCN(C(C#N)CCC)CC1
InChIInChI=1S/C15H29N3/c1-3-5-6-7-9-17-10-12-18(13-11-17)15(14-16)8-4-2/h15H,3-13H2,1-2H3
InChIKeyZTPSNGLMKOREHD-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.88
Rot. Bonds8

About 2-(4-hexylpiperazin-1-yl)pentanenitrile

2-(4-hexylpiperazin-1-yl)pentanenitrile (PubChem CID 63339849) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-(4-hexylpiperazin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-(4-hexylpiperazin-1-yl)pentanenitrile
PubChem CID63339849
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2-(4-hexylpiperazin-1-yl)pentanenitrile
SMILESCCCCCCN1CCN(C(C#N)CCC)CC1
InChIInChI=1S/C15H29N3/c1-3-5-6-7-9-17-10-12-18(13-11-17)15(14-16)8-4-2/h15H,3-13H2,1-2H3
InChIKeyZTPSNGLMKOREHD-UHFFFAOYSA-N
XLogP2.88
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methylpentyl)piperazin-1-yl]pentanenitrile
CID 83156288
2-[4-(2-ethylsulfonylethyl)piperazin-1-yl]pentanenitrile
CID 63339635
3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide
CID 63340023
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
2-[4-(2-tert-butylsulfonylethyl)piperazin-1-yl]pentanenitrile
CID 106724774
2-[4-(4-methoxybutyl)piperazin-1-yl]butanenitrile
CID 104647613
2-(4-hexylpiperazin-1-yl)acetonitrile
CID 55219659
(4-hexylpiperazin-1-yl)methanedithiol
CID 58131417
3-[4-(1-cyanobutyl)piperazin-1-yl]-2,2-dimethylpropanoic acid
CID 79623377
2-[4-[2-(1-methylpyrazol-4-yl)ethyl]piperazin-1-yl]pentanenitrile
CID 103002523
2-[4-(1-cyanobutyl)piperazin-1-yl]pentanoic acid
CID 83041979

Frequently Asked Questions

What is the IUPAC name of 2-(4-hexylpiperazin-1-yl)pentanenitrile?
The IUPAC name of 2-(4-hexylpiperazin-1-yl)pentanenitrile (CID 63339849) is 2-(4-hexylpiperazin-1-yl)pentanenitrile.
What is the SMILES notation for 2-(4-hexylpiperazin-1-yl)pentanenitrile?
The canonical SMILES for 2-(4-hexylpiperazin-1-yl)pentanenitrile is CCCCCCN1CCN(C(C#N)CCC)CC1.
What is the InChIKey of 2-(4-hexylpiperazin-1-yl)pentanenitrile?
The InChIKey is ZTPSNGLMKOREHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-3-5-6-7-9-17-10-12-18(13-11-17)15(14-16)8-4-2/h15H,3-13H2,1-2H3.
What are the key properties of 2-(4-hexylpiperazin-1-yl)pentanenitrile?
2-(4-hexylpiperazin-1-yl)pentanenitrile has a molecular weight of 251.42 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexylpiperazin-1-yl)pentanenitrile is sourced from PubChem (CID 63339849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).