2-[4-(4-methylpentyl)piperazin-1-yl]pentanenitrile

C15H29N3 — CID 83156288

IUPAC2-[4-(4-methylpentyl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(CCCC(C)C)CC1
InChIInChI=1S/C15H29N3/c1-4-6-15(13-16)18-11-9-17(10-12-18)8-5-7-14(2)3/h14-15H,4-12H2,1-3H3
InChIKeyMLYBGYHXVWBPAY-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.73
Rot. Bonds7

About 2-[4-(4-methylpentyl)piperazin-1-yl]pentanenitrile

2-[4-(4-methylpentyl)piperazin-1-yl]pentanenitrile (PubChem CID 83156288) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-[4-(4-methylpentyl)piperazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2-[4-(4-methylpentyl)piperazin-1-yl]pentanenitrile
PubChem CID83156288
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2-[4-(4-methylpentyl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(CCCC(C)C)CC1
InChIInChI=1S/C15H29N3/c1-4-6-15(13-16)18-11-9-17(10-12-18)8-5-7-14(2)3/h14-15H,4-12H2,1-3H3
InChIKeyMLYBGYHXVWBPAY-UHFFFAOYSA-N
XLogP2.73
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-methylpentyl)piperazin-1-yl]pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-hexylpiperazin-1-yl)pentanenitrile
CID 63339849
2-[4-(2-ethylsulfonylethyl)piperazin-1-yl]pentanenitrile
CID 63339635
3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide
CID 63340023
2-[4-(2-tert-butylsulfonylethyl)piperazin-1-yl]pentanenitrile
CID 106724774
2-[4-(4-methylpentanoyl)piperazin-1-yl]pentanenitrile
CID 63337433
1-(4-methylpentyl)-4-(2-methylpropyl)piperazine
CID 21131473
2-[4-[2-(1-methylpyrazol-4-yl)ethyl]piperazin-1-yl]pentanenitrile
CID 103002523
2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]pentanenitrile
CID 114527876
2-[4-[(1-hydroxycyclopentyl)methyl]piperazin-1-yl]pentanenitrile
CID 65211110
2-(4-methylsulfonylpiperazin-1-yl)pentanenitrile
CID 63341136
3-[4-(1-cyanobutyl)piperazin-1-yl]-2,2-dimethylpropanoic acid
CID 79623377
2-[4-(4-methoxybutyl)piperazin-1-yl]butanenitrile
CID 104647613

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpentyl)piperazin-1-yl]pentanenitrile?
The IUPAC name of 2-[4-(4-methylpentyl)piperazin-1-yl]pentanenitrile (CID 83156288) is 2-[4-(4-methylpentyl)piperazin-1-yl]pentanenitrile.
What is the SMILES notation for 2-[4-(4-methylpentyl)piperazin-1-yl]pentanenitrile?
The canonical SMILES for 2-[4-(4-methylpentyl)piperazin-1-yl]pentanenitrile is CCCC(C#N)N1CCN(CCCC(C)C)CC1.
What is the InChIKey of 2-[4-(4-methylpentyl)piperazin-1-yl]pentanenitrile?
The InChIKey is MLYBGYHXVWBPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-4-6-15(13-16)18-11-9-17(10-12-18)8-5-7-14(2)3/h14-15H,4-12H2,1-3H3.
What are the key properties of 2-[4-(4-methylpentyl)piperazin-1-yl]pentanenitrile?
2-[4-(4-methylpentyl)piperazin-1-yl]pentanenitrile has a molecular weight of 251.42 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpentyl)piperazin-1-yl]pentanenitrile is sourced from PubChem (CID 83156288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).