4-[(E)-2-(1-methylpiperidin-4-yl)ethenyl]benzonitrile

C15H18N2 — CID 144554606

IUPAC4-[(E)-2-(1-methylpiperidin-4-yl)ethenyl]benzonitrile
SMILESCN1CCC(/C=C/c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H18N2/c1-17-10-8-14(9-11-17)3-2-13-4-6-15(12-16)7-5-13/h2-7,14H,8-11H2,1H3/b3-2+
InChIKeyJVGVWHGHFYXNSE-NSCUHMNNSA-N
MW226.32 g/mol
LogP2.91
Rot. Bonds2

About 4-[(E)-2-(1-methylpiperidin-4-yl)ethenyl]benzonitrile

4-[(E)-2-(1-methylpiperidin-4-yl)ethenyl]benzonitrile (PubChem CID 144554606) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-[(E)-2-(1-methylpiperidin-4-yl)ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-2-(1-methylpiperidin-4-yl)ethenyl]benzonitrile
PubChem CID144554606
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-[(E)-2-(1-methylpiperidin-4-yl)ethenyl]benzonitrile
SMILESCN1CCC(/C=C/c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H18N2/c1-17-10-8-14(9-11-17)3-2-13-4-6-15(12-16)7-5-13/h2-7,14H,8-11H2,1H3/b3-2+
InChIKeyJVGVWHGHFYXNSE-NSCUHMNNSA-N
XLogP2.91
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[(E)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl]benzonitrile
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4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270
4-[(4-methylpiperazin-1-yl)iminomethyl]benzonitrile
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4-prop-1-enylbenzonitrile
CID 68719840
4-(4-methylpiperazin-1-yl)benzonitrile
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4-[(E)-3-cyclopropylprop-1-enyl]benzonitrile
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4-[(E)-2-(dimethylamino)ethenyl]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(1-methylpiperidin-4-yl)ethenyl]benzonitrile?
The IUPAC name of 4-[(E)-2-(1-methylpiperidin-4-yl)ethenyl]benzonitrile (CID 144554606) is 4-[(E)-2-(1-methylpiperidin-4-yl)ethenyl]benzonitrile.
What is the SMILES notation for 4-[(E)-2-(1-methylpiperidin-4-yl)ethenyl]benzonitrile?
The canonical SMILES for 4-[(E)-2-(1-methylpiperidin-4-yl)ethenyl]benzonitrile is CN1CCC(/C=C/c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-[(E)-2-(1-methylpiperidin-4-yl)ethenyl]benzonitrile?
The InChIKey is JVGVWHGHFYXNSE-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H18N2/c1-17-10-8-14(9-11-17)3-2-13-4-6-15(12-16)7-5-13/h2-7,14H,8-11H2,1H3/b3-2+.
What are the key properties of 4-[(E)-2-(1-methylpiperidin-4-yl)ethenyl]benzonitrile?
4-[(E)-2-(1-methylpiperidin-4-yl)ethenyl]benzonitrile has a molecular weight of 226.32 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(1-methylpiperidin-4-yl)ethenyl]benzonitrile is sourced from PubChem (CID 144554606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).