5-(3-piperazin-1-ylazetidin-1-yl)pentanenitrile

C12H22N4 — CID 66195417

IUPAC5-(3-piperazin-1-ylazetidin-1-yl)pentanenitrile
SMILESN#CCCCCN1CC(N2CCNCC2)C1
InChIInChI=1S/C12H22N4/c13-4-2-1-3-7-15-10-12(11-15)16-8-5-14-6-9-16/h12,14H,1-3,5-11H2
InChIKeyOKLNXKTUKAAPSJ-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.27
Rot. Bonds5

About 5-(3-piperazin-1-ylazetidin-1-yl)pentanenitrile

5-(3-piperazin-1-ylazetidin-1-yl)pentanenitrile (PubChem CID 66195417) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 5-(3-piperazin-1-ylazetidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name5-(3-piperazin-1-ylazetidin-1-yl)pentanenitrile
PubChem CID66195417
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name5-(3-piperazin-1-ylazetidin-1-yl)pentanenitrile
SMILESN#CCCCCN1CC(N2CCNCC2)C1
InChIInChI=1S/C12H22N4/c13-4-2-1-3-7-15-10-12(11-15)16-8-5-14-6-9-16/h12,14H,1-3,5-11H2
InChIKeyOKLNXKTUKAAPSJ-UHFFFAOYSA-N
XLogP0.27
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-piperazin-1-ylazetidin-1-yl)acetonitrile
CID 66197724
N-(2-cyanoethyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide
CID 66197136
5-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]pentanenitrile
CID 80553177
5-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile
CID 54966168
1-[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]piperazine
CID 103181610
2-[2-(3-piperazin-1-ylazetidin-1-yl)ethoxy]ethanol
CID 66197330
3-(3-piperazin-1-ylazetidin-1-yl)butanenitrile
CID 66196757
methyl 3-(3-piperazin-1-ylazetidin-1-yl)propanoate
CID 66197137
5-[3-(aminomethyl)pyrrolidin-1-yl]pentanenitrile
CID 62063600
5-(azocan-1-yl)pentanenitrile
CID 60688798
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]piperazine
CID 112590921
5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile
CID 53418278

Frequently Asked Questions

What is the IUPAC name of 5-(3-piperazin-1-ylazetidin-1-yl)pentanenitrile?
The IUPAC name of 5-(3-piperazin-1-ylazetidin-1-yl)pentanenitrile (CID 66195417) is 5-(3-piperazin-1-ylazetidin-1-yl)pentanenitrile.
What is the SMILES notation for 5-(3-piperazin-1-ylazetidin-1-yl)pentanenitrile?
The canonical SMILES for 5-(3-piperazin-1-ylazetidin-1-yl)pentanenitrile is N#CCCCCN1CC(N2CCNCC2)C1.
What is the InChIKey of 5-(3-piperazin-1-ylazetidin-1-yl)pentanenitrile?
The InChIKey is OKLNXKTUKAAPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c13-4-2-1-3-7-15-10-12(11-15)16-8-5-14-6-9-16/h12,14H,1-3,5-11H2.
What are the key properties of 5-(3-piperazin-1-ylazetidin-1-yl)pentanenitrile?
5-(3-piperazin-1-ylazetidin-1-yl)pentanenitrile has a molecular weight of 222.34 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-piperazin-1-ylazetidin-1-yl)pentanenitrile is sourced from PubChem (CID 66195417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).