1-(piperazin-1-ylmethyl)cyclobutane-1-carbonitrile

C10H17N3 — CID 82503705

IUPAC1-(piperazin-1-ylmethyl)cyclobutane-1-carbonitrile
SMILESN#CC1(CN2CCNCC2)CCC1
InChIInChI=1S/C10H17N3/c11-8-10(2-1-3-10)9-13-6-4-12-5-7-13/h12H,1-7,9H2
InChIKeyGBEKQLUIKRLCHC-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.59
Rot. Bonds2

About 1-(piperazin-1-ylmethyl)cyclobutane-1-carbonitrile

1-(piperazin-1-ylmethyl)cyclobutane-1-carbonitrile (PubChem CID 82503705) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(piperazin-1-ylmethyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(piperazin-1-ylmethyl)cyclobutane-1-carbonitrile
PubChem CID82503705
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(piperazin-1-ylmethyl)cyclobutane-1-carbonitrile
SMILESN#CC1(CN2CCNCC2)CCC1
InChIInChI=1S/C10H17N3/c11-8-10(2-1-3-10)9-13-6-4-12-5-7-13/h12H,1-7,9H2
InChIKeyGBEKQLUIKRLCHC-UHFFFAOYSA-N
XLogP0.59
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(piperazin-1-ylmethyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(piperazin-1-ylmethyl)cyclobutane-1-carbonitrile (CID 82503705) is 1-(piperazin-1-ylmethyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(piperazin-1-ylmethyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(piperazin-1-ylmethyl)cyclobutane-1-carbonitrile is N#CC1(CN2CCNCC2)CCC1.
What is the InChIKey of 1-(piperazin-1-ylmethyl)cyclobutane-1-carbonitrile?
The InChIKey is GBEKQLUIKRLCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c11-8-10(2-1-3-10)9-13-6-4-12-5-7-13/h12H,1-7,9H2.
What are the key properties of 1-(piperazin-1-ylmethyl)cyclobutane-1-carbonitrile?
1-(piperazin-1-ylmethyl)cyclobutane-1-carbonitrile has a molecular weight of 179.27 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperazin-1-ylmethyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 82503705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).