1-(4-piperazin-1-ylbutyl)cyclobutane-1-carbonitrile

C13H23N3 — CID 165456483

IUPAC1-(4-piperazin-1-ylbutyl)cyclobutane-1-carbonitrile
SMILESN#CC1(CCCCN2CCNCC2)CCC1
InChIInChI=1S/C13H23N3/c14-12-13(5-3-6-13)4-1-2-9-16-10-7-15-8-11-16/h15H,1-11H2
InChIKeyMZIWXMSYXIBDAX-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.76
Rot. Bonds5

About 1-(4-piperazin-1-ylbutyl)cyclobutane-1-carbonitrile

1-(4-piperazin-1-ylbutyl)cyclobutane-1-carbonitrile (PubChem CID 165456483) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(4-piperazin-1-ylbutyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-piperazin-1-ylbutyl)cyclobutane-1-carbonitrile
PubChem CID165456483
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(4-piperazin-1-ylbutyl)cyclobutane-1-carbonitrile
SMILESN#CC1(CCCCN2CCNCC2)CCC1
InChIInChI=1S/C13H23N3/c14-12-13(5-3-6-13)4-1-2-9-16-10-7-15-8-11-16/h15H,1-11H2
InChIKeyMZIWXMSYXIBDAX-UHFFFAOYSA-N
XLogP1.76
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carbonitrile
CID 165451403
1-(4-morpholin-4-ylbutyl)cyclobutane-1-carbonitrile
CID 165451404
1-(piperazin-1-ylmethyl)cyclobutane-1-carbonitrile
CID 82503705
1-(piperazin-1-ylmethyl)cyclopentane-1-carbonitrile
CID 82505181
1-(4-chlorobutyl)cyclohexane-1-carbonitrile
CID 165451410
1-[4-(3,3-difluoropyrrolidin-1-yl)butyl]piperazine
CID 116991618
1-tricosylpiperazine
CID 130183651
bis(1-(3-chloropropyl)piperazine);hydrate;tetrahydrochloride
CID 131714940
4-piperazin-1-ylbutan-1-amine;dihydrochloride
CID 139993876
1-dodecylcycloheptane-1-carbonitrile
CID 65392089
4-(1,4-diazepan-1-yl)butan-1-amine
CID 64981149
1-oct-7-enylpiperazine
CID 67041339

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperazin-1-ylbutyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(4-piperazin-1-ylbutyl)cyclobutane-1-carbonitrile (CID 165456483) is 1-(4-piperazin-1-ylbutyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(4-piperazin-1-ylbutyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(4-piperazin-1-ylbutyl)cyclobutane-1-carbonitrile is N#CC1(CCCCN2CCNCC2)CCC1.
What is the InChIKey of 1-(4-piperazin-1-ylbutyl)cyclobutane-1-carbonitrile?
The InChIKey is MZIWXMSYXIBDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c14-12-13(5-3-6-13)4-1-2-9-16-10-7-15-8-11-16/h15H,1-11H2.
What are the key properties of 1-(4-piperazin-1-ylbutyl)cyclobutane-1-carbonitrile?
1-(4-piperazin-1-ylbutyl)cyclobutane-1-carbonitrile has a molecular weight of 221.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperazin-1-ylbutyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 165456483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).