2-(3-piperazin-1-ylazetidin-1-yl)acetonitrile

C9H16N4 — CID 66197724

IUPAC2-(3-piperazin-1-ylazetidin-1-yl)acetonitrile
SMILESN#CCN1CC(N2CCNCC2)C1
InChIInChI=1S/C9H16N4/c10-1-4-12-7-9(8-12)13-5-2-11-3-6-13/h9,11H,2-8H2
InChIKeyJIBWZGYJLHOLFE-UHFFFAOYSA-N
MW180.25 g/mol
LogP-0.90
Rot. Bonds2

About 2-(3-piperazin-1-ylazetidin-1-yl)acetonitrile

2-(3-piperazin-1-ylazetidin-1-yl)acetonitrile (PubChem CID 66197724) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(3-piperazin-1-ylazetidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-piperazin-1-ylazetidin-1-yl)acetonitrile
PubChem CID66197724
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-(3-piperazin-1-ylazetidin-1-yl)acetonitrile
SMILESN#CCN1CC(N2CCNCC2)C1
InChIInChI=1S/C9H16N4/c10-1-4-12-7-9(8-12)13-5-2-11-3-6-13/h9,11H,2-8H2
InChIKeyJIBWZGYJLHOLFE-UHFFFAOYSA-N
XLogP-0.90
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-piperazin-1-ylazetidin-1-yl)pentanenitrile
CID 66195417
2-[4-(azetidin-3-yl)piperazin-1-yl]acetonitrile
CID 66201987
3-(3-piperazin-1-ylazetidin-1-yl)butanenitrile
CID 66196757
N-(2-cyanoethyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide
CID 66197136
2-imidazolidin-1-ylacetonitrile
CID 55287724
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetonitrile
CID 112734061
2-[2-(3-piperazin-1-ylazetidin-1-yl)ethoxy]ethanol
CID 66197330
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]piperazine
CID 112590921
1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968111
1-(1-ethylpiperidin-3-yl)piperazine
CID 52992040
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetonitrile
CID 115278404
1-(cyanomethyl)-1,3-diazinane-5-carbonitrile
CID 163917251

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperazin-1-ylazetidin-1-yl)acetonitrile?
The IUPAC name of 2-(3-piperazin-1-ylazetidin-1-yl)acetonitrile (CID 66197724) is 2-(3-piperazin-1-ylazetidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(3-piperazin-1-ylazetidin-1-yl)acetonitrile?
The canonical SMILES for 2-(3-piperazin-1-ylazetidin-1-yl)acetonitrile is N#CCN1CC(N2CCNCC2)C1.
What is the InChIKey of 2-(3-piperazin-1-ylazetidin-1-yl)acetonitrile?
The InChIKey is JIBWZGYJLHOLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c10-1-4-12-7-9(8-12)13-5-2-11-3-6-13/h9,11H,2-8H2.
What are the key properties of 2-(3-piperazin-1-ylazetidin-1-yl)acetonitrile?
2-(3-piperazin-1-ylazetidin-1-yl)acetonitrile has a molecular weight of 180.25 g/mol, XLogP of -0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperazin-1-ylazetidin-1-yl)acetonitrile is sourced from PubChem (CID 66197724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).