4-(1-phenylpiperazin-2-yl)benzonitrile

C17H17N3 — CID 54309593

IUPAC4-(1-phenylpiperazin-2-yl)benzonitrile
SMILESN#Cc1ccc(C2CNCCN2c2ccccc2)cc1
InChIInChI=1S/C17H17N3/c18-12-14-6-8-15(9-7-14)17-13-19-10-11-20(17)16-4-2-1-3-5-16/h1-9,17,19H,10-11,13H2
InChIKeySJYWSLLSTSCRNU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.71
Rot. Bonds2

About 4-(1-phenylpiperazin-2-yl)benzonitrile

4-(1-phenylpiperazin-2-yl)benzonitrile (PubChem CID 54309593) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(1-phenylpiperazin-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(1-phenylpiperazin-2-yl)benzonitrile
PubChem CID54309593
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name4-(1-phenylpiperazin-2-yl)benzonitrile
SMILESN#Cc1ccc(C2CNCCN2c2ccccc2)cc1
InChIInChI=1S/C17H17N3/c18-12-14-6-8-15(9-7-14)17-13-19-10-11-20(17)16-4-2-1-3-5-16/h1-9,17,19H,10-11,13H2
InChIKeySJYWSLLSTSCRNU-UHFFFAOYSA-N
XLogP2.71
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylpiperazin-2-yl)benzonitrile?
The IUPAC name of 4-(1-phenylpiperazin-2-yl)benzonitrile (CID 54309593) is 4-(1-phenylpiperazin-2-yl)benzonitrile.
What is the SMILES notation for 4-(1-phenylpiperazin-2-yl)benzonitrile?
The canonical SMILES for 4-(1-phenylpiperazin-2-yl)benzonitrile is N#Cc1ccc(C2CNCCN2c2ccccc2)cc1.
What is the InChIKey of 4-(1-phenylpiperazin-2-yl)benzonitrile?
The InChIKey is SJYWSLLSTSCRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c18-12-14-6-8-15(9-7-14)17-13-19-10-11-20(17)16-4-2-1-3-5-16/h1-9,17,19H,10-11,13H2.
What are the key properties of 4-(1-phenylpiperazin-2-yl)benzonitrile?
4-(1-phenylpiperazin-2-yl)benzonitrile has a molecular weight of 263.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylpiperazin-2-yl)benzonitrile is sourced from PubChem (CID 54309593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).