5-(4-butan-2-ylpiperazin-1-yl)pentanenitrile

C13H25N3 — CID 62774224

IUPAC5-(4-butan-2-ylpiperazin-1-yl)pentanenitrile
SMILESCCC(C)N1CCN(CCCCC#N)CC1
InChIInChI=1S/C13H25N3/c1-3-13(2)16-11-9-15(10-12-16)8-6-4-5-7-14/h13H,3-6,8-12H2,1-2H3
InChIKeyLXWVEVSZXDIOER-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.10
Rot. Bonds6

About 5-(4-butan-2-ylpiperazin-1-yl)pentanenitrile

5-(4-butan-2-ylpiperazin-1-yl)pentanenitrile (PubChem CID 62774224) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 5-(4-butan-2-ylpiperazin-1-yl)pentanenitrile.

Molecular Properties

Compound Name5-(4-butan-2-ylpiperazin-1-yl)pentanenitrile
PubChem CID62774224
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name5-(4-butan-2-ylpiperazin-1-yl)pentanenitrile
SMILESCCC(C)N1CCN(CCCCC#N)CC1
InChIInChI=1S/C13H25N3/c1-3-13(2)16-11-9-15(10-12-16)8-6-4-5-7-14/h13H,3-6,8-12H2,1-2H3
InChIKeyLXWVEVSZXDIOER-UHFFFAOYSA-N
XLogP2.10
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.10
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

4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine
CID 43252810
5-[4-(2-ethoxyethyl)piperazin-1-yl]pentanenitrile
CID 56778759
3-(4-butan-2-ylpiperazin-1-yl)butanenitrile
CID 62773827
3-(4-butan-2-ylpiperazin-1-yl)-2-methylpropanenitrile
CID 62772469
5-(4-methyl-1,4-diazepan-1-yl)pentanenitrile
CID 60688742
5-(azocan-1-yl)pentanenitrile
CID 60688798
5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62774852
1-butan-2-yl-4-(2-methoxyethyl)piperazine
CID 147045580
3-(4-butan-2-ylpiperazin-1-yl)propanamide
CID 62772700
2-amino-3-(4-butan-2-ylpiperazin-1-yl)propanenitrile
CID 62772513
5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine
CID 65254432
4-(4-cyanobutyl)-N-ethylpiperazine-1-carboxamide
CID 87013481

Frequently Asked Questions

What is the IUPAC name of 5-(4-butan-2-ylpiperazin-1-yl)pentanenitrile?
The IUPAC name of 5-(4-butan-2-ylpiperazin-1-yl)pentanenitrile (CID 62774224) is 5-(4-butan-2-ylpiperazin-1-yl)pentanenitrile.
What is the SMILES notation for 5-(4-butan-2-ylpiperazin-1-yl)pentanenitrile?
The canonical SMILES for 5-(4-butan-2-ylpiperazin-1-yl)pentanenitrile is CCC(C)N1CCN(CCCCC#N)CC1.
What is the InChIKey of 5-(4-butan-2-ylpiperazin-1-yl)pentanenitrile?
The InChIKey is LXWVEVSZXDIOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-3-13(2)16-11-9-15(10-12-16)8-6-4-5-7-14/h13H,3-6,8-12H2,1-2H3.
What are the key properties of 5-(4-butan-2-ylpiperazin-1-yl)pentanenitrile?
5-(4-butan-2-ylpiperazin-1-yl)pentanenitrile has a molecular weight of 223.36 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butan-2-ylpiperazin-1-yl)pentanenitrile is sourced from PubChem (CID 62774224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).