1-piperazin-1-ylcyclobutane-1-carbonitrile

C9H15N3 — CID 43173281

IUPAC1-piperazin-1-ylcyclobutane-1-carbonitrile
SMILESN#CC1(N2CCNCC2)CCC1
InChIInChI=1S/C9H15N3/c10-8-9(2-1-3-9)12-6-4-11-5-7-12/h11H,1-7H2
InChIKeyFMTCCNXMJRFBCQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.34
Rot. Bonds1

About 1-piperazin-1-ylcyclobutane-1-carbonitrile

1-piperazin-1-ylcyclobutane-1-carbonitrile (PubChem CID 43173281) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-piperazin-1-ylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-piperazin-1-ylcyclobutane-1-carbonitrile
PubChem CID43173281
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-piperazin-1-ylcyclobutane-1-carbonitrile
SMILESN#CC1(N2CCNCC2)CCC1
InChIInChI=1S/C9H15N3/c10-8-9(2-1-3-9)12-6-4-11-5-7-12/h11H,1-7H2
InChIKeyFMTCCNXMJRFBCQ-UHFFFAOYSA-N
XLogP0.34
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylcyclobutane-1-carbonitrile?
The IUPAC name of 1-piperazin-1-ylcyclobutane-1-carbonitrile (CID 43173281) is 1-piperazin-1-ylcyclobutane-1-carbonitrile.
What is the SMILES notation for 1-piperazin-1-ylcyclobutane-1-carbonitrile?
The canonical SMILES for 1-piperazin-1-ylcyclobutane-1-carbonitrile is N#CC1(N2CCNCC2)CCC1.
What is the InChIKey of 1-piperazin-1-ylcyclobutane-1-carbonitrile?
The InChIKey is FMTCCNXMJRFBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c10-8-9(2-1-3-9)12-6-4-11-5-7-12/h11H,1-7H2.
What are the key properties of 1-piperazin-1-ylcyclobutane-1-carbonitrile?
1-piperazin-1-ylcyclobutane-1-carbonitrile has a molecular weight of 165.24 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylcyclobutane-1-carbonitrile is sourced from PubChem (CID 43173281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).