2-methyl-4-[(E)-2-piperidin-1-ylethenyl]benzonitrile

C15H18N2 — CID 89445469

IUPAC2-methyl-4-[(E)-2-piperidin-1-ylethenyl]benzonitrile
SMILESCc1cc(/C=C/N2CCCCC2)ccc1C#N
InChIInChI=1S/C15H18N2/c1-13-11-14(5-6-15(13)12-16)7-10-17-8-3-2-4-9-17/h5-7,10-11H,2-4,8-9H2,1H3/b10-7+
InChIKeyPUWAYEBJUZNREF-JXMROGBWSA-N
MW226.32 g/mol
LogP3.32
Rot. Bonds2

About 2-methyl-4-[(E)-2-piperidin-1-ylethenyl]benzonitrile

2-methyl-4-[(E)-2-piperidin-1-ylethenyl]benzonitrile (PubChem CID 89445469) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-methyl-4-[(E)-2-piperidin-1-ylethenyl]benzonitrile.

Molecular Properties

Compound Name2-methyl-4-[(E)-2-piperidin-1-ylethenyl]benzonitrile
PubChem CID89445469
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-methyl-4-[(E)-2-piperidin-1-ylethenyl]benzonitrile
SMILESCc1cc(/C=C/N2CCCCC2)ccc1C#N
InChIInChI=1S/C15H18N2/c1-13-11-14(5-6-15(13)12-16)7-10-17-8-3-2-4-9-17/h5-7,10-11H,2-4,8-9H2,1H3/b10-7+
InChIKeyPUWAYEBJUZNREF-JXMROGBWSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-cyanoethenyl)-2-methylbenzonitrile
CID 169483493
4-(azocan-1-yl)-2-methylbenzonitrile
CID 79019375
2-methyl-4-(piperidin-1-ylamino)benzonitrile
CID 83016142
4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-methylbenzonitrile
CID 58915445
tert-butyl 3-(4-cyano-3-methylphenyl)prop-2-enoate
CID 68649265
1-[(E)-2-(4-bromophenyl)ethenyl]piperidine
CID 146169747
4-methanehydrazonoyl-2-methylbenzonitrile
CID 168529206
4-(azetidin-1-yl)-2-methylbenzonitrile
CID 126980528
N-[4-(4-cyano-3-methylphenyl)but-3-enyl]acetamide
CID 170488699
2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile
CID 79018586
2-methyl-4-(4-oxopiperidin-1-yl)benzonitrile
CID 79019443
2-methyl-4-(2-pyrrolidin-1-ylethoxy)benzonitrile
CID 81281553

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(E)-2-piperidin-1-ylethenyl]benzonitrile?
The IUPAC name of 2-methyl-4-[(E)-2-piperidin-1-ylethenyl]benzonitrile (CID 89445469) is 2-methyl-4-[(E)-2-piperidin-1-ylethenyl]benzonitrile.
What is the SMILES notation for 2-methyl-4-[(E)-2-piperidin-1-ylethenyl]benzonitrile?
The canonical SMILES for 2-methyl-4-[(E)-2-piperidin-1-ylethenyl]benzonitrile is Cc1cc(/C=C/N2CCCCC2)ccc1C#N.
What is the InChIKey of 2-methyl-4-[(E)-2-piperidin-1-ylethenyl]benzonitrile?
The InChIKey is PUWAYEBJUZNREF-JXMROGBWSA-N. The full InChI is InChI=1S/C15H18N2/c1-13-11-14(5-6-15(13)12-16)7-10-17-8-3-2-4-9-17/h5-7,10-11H,2-4,8-9H2,1H3/b10-7+.
What are the key properties of 2-methyl-4-[(E)-2-piperidin-1-ylethenyl]benzonitrile?
2-methyl-4-[(E)-2-piperidin-1-ylethenyl]benzonitrile has a molecular weight of 226.32 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(E)-2-piperidin-1-ylethenyl]benzonitrile is sourced from PubChem (CID 89445469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).