2-(4-piperazin-1-ylphenoxy)benzonitrile

C17H17N3O — CID 115410818

IUPAC2-(4-piperazin-1-ylphenoxy)benzonitrile
SMILESN#Cc1ccccc1Oc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C17H17N3O/c18-13-14-3-1-2-4-17(14)21-16-7-5-15(6-8-16)20-11-9-19-10-12-20/h1-8,19H,9-12H2
InChIKeySWQHKYPKRWBDOK-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.76
Rot. Bonds3

About 2-(4-piperazin-1-ylphenoxy)benzonitrile

2-(4-piperazin-1-ylphenoxy)benzonitrile (PubChem CID 115410818) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(4-piperazin-1-ylphenoxy)benzonitrile.

Molecular Properties

Compound Name2-(4-piperazin-1-ylphenoxy)benzonitrile
PubChem CID115410818
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(4-piperazin-1-ylphenoxy)benzonitrile
SMILESN#Cc1ccccc1Oc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C17H17N3O/c18-13-14-3-1-2-4-17(14)21-16-7-5-15(6-8-16)20-11-9-19-10-12-20/h1-8,19H,9-12H2
InChIKeySWQHKYPKRWBDOK-UHFFFAOYSA-N
XLogP2.76
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-phenoxyphenyl)piperazine
CID 3017356
ethane;2-piperazin-1-ylbenzonitrile
CID 91561805
2-(2-cyanophenoxy)benzonitrile
CID 13435570
1-(2-phenoxyphenyl)piperazine
CID 12996705
2-[(9-methyl-8-oxo-6-piperazin-1-yl-7H-purin-2-yl)oxy]benzonitrile
CID 71017785
2-methyl-5-piperazin-1-ylbenzonitrile
CID 84670211
4-(2-cyanophenoxy)benzamide
CID 28825078
1-[4-(3,4-dimethylphenoxy)phenyl]piperazine
CID 39382281
2-[4-(1-hydroxyethyl)phenoxy]benzonitrile
CID 43506326
4-piperazin-1-yl-2-(trifluoromethyl)benzonitrile;hydrochloride
CID 11403582
1-[4-(2-methylphenoxy)phenyl]pyrrolidine
CID 168515858
2-(3,4-difluorophenoxy)benzonitrile
CID 43429840

Frequently Asked Questions

What is the IUPAC name of 2-(4-piperazin-1-ylphenoxy)benzonitrile?
The IUPAC name of 2-(4-piperazin-1-ylphenoxy)benzonitrile (CID 115410818) is 2-(4-piperazin-1-ylphenoxy)benzonitrile.
What is the SMILES notation for 2-(4-piperazin-1-ylphenoxy)benzonitrile?
The canonical SMILES for 2-(4-piperazin-1-ylphenoxy)benzonitrile is N#Cc1ccccc1Oc1ccc(N2CCNCC2)cc1.
What is the InChIKey of 2-(4-piperazin-1-ylphenoxy)benzonitrile?
The InChIKey is SWQHKYPKRWBDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-13-14-3-1-2-4-17(14)21-16-7-5-15(6-8-16)20-11-9-19-10-12-20/h1-8,19H,9-12H2.
What are the key properties of 2-(4-piperazin-1-ylphenoxy)benzonitrile?
2-(4-piperazin-1-ylphenoxy)benzonitrile has a molecular weight of 279.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperazin-1-ylphenoxy)benzonitrile is sourced from PubChem (CID 115410818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).