3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-2-enenitrile

C16H19N3 — CID 3451915

IUPAC3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-2-enenitrile
SMILESN#CC=CN1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C16H19N3/c17-9-5-11-19-14-12-18(13-15-19)10-4-8-16-6-2-1-3-7-16/h1-8,11H,10,12-15H2
InChIKeyVWVYIGQXYTXDLW-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.35
Rot. Bonds4

About 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-2-enenitrile

3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-2-enenitrile (PubChem CID 3451915) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-2-enenitrile.

Molecular Properties

Compound Name3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-2-enenitrile
PubChem CID3451915
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-2-enenitrile
SMILESN#CC=CN1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C16H19N3/c17-9-5-11-19-14-12-18(13-15-19)10-4-8-16-6-2-1-3-7-16/h1-8,11H,10,12-15H2
InChIKeyVWVYIGQXYTXDLW-UHFFFAOYSA-N
XLogP2.35
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
(E)-1,1,1-trifluoro-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]but-3-en-2-one
CID 2426092
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]benzonitrile
CID 23965850
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
1-(3-phenylprop-2-enyl)imidazolidine
CID 161124295
4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]benzonitrile
CID 18104688
1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
CID 757459
1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride
CID 6444556
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid
CID 67280873
[fluoro-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phosphane
CID 143877293

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-2-enenitrile?
The IUPAC name of 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-2-enenitrile (CID 3451915) is 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-2-enenitrile.
What is the SMILES notation for 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-2-enenitrile?
The canonical SMILES for 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-2-enenitrile is N#CC=CN1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-2-enenitrile?
The InChIKey is VWVYIGQXYTXDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c17-9-5-11-19-14-12-18(13-15-19)10-4-8-16-6-2-1-3-7-16/h1-8,11H,10,12-15H2.
What are the key properties of 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-2-enenitrile?
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-2-enenitrile has a molecular weight of 253.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-2-enenitrile is sourced from PubChem (CID 3451915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).