4-[1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile

C21H22N2 — CID 130216383

IUPAC4-[1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile
SMILESC=C(c1ccc(C)cc1)N1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C21H22N2/c1-16-3-7-19(8-4-16)17(2)23-13-11-21(12-14-23)20-9-5-18(15-22)6-10-20/h3-10,21H,2,11-14H2,1H3
InChIKeyVFNXCFBCKWYTPO-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.72
Rot. Bonds3

About 4-[1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile

4-[1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile (PubChem CID 130216383) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-[1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile
PubChem CID130216383
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name4-[1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile
SMILESC=C(c1ccc(C)cc1)N1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C21H22N2/c1-16-3-7-19(8-4-16)17(2)23-13-11-21(12-14-23)20-9-5-18(15-22)6-10-20/h3-10,21H,2,11-14H2,1H3
InChIKeyVFNXCFBCKWYTPO-UHFFFAOYSA-N
XLogP4.72
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[1-(4-cyclobutyl-2-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile
CID 134513386
1-[1-(4-methylphenyl)ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine
CID 156560783
N-[5-[1-[4-(4-cyanophenyl)piperidin-1-yl]ethenyl]-2-methylphenyl]cyclopropanecarboxamide
CID 89273037
4-[1-[1-[4-methyl-3-[(E)-3-(propan-2-ylideneamino)but-2-en-2-yl]phenyl]ethenyl]piperidin-4-yl]benzonitrile
CID 138718034
4-[1-[1-[3-amino-4-(methylsulfanylmethyl)phenyl]ethenyl]piperidin-4-yl]benzonitrile
CID 89265409
ethane;formaldehyde;4-[1-[1-[4-methyl-3-[[methylidene-[(4-methylphenyl)methyl]-oxo-λ6-sulfanyl]amino]phenyl]ethenyl]piperidin-4-yl]benzonitrile
CID 143698923
ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate
CID 67435574
1-[5-[1-[4-(4-cyanophenyl)piperidin-1-yl]ethenyl]-2-methylphenyl]-3-(3-methylbutan-2-yl)urea
CID 143698584
4-[1-[(Z)-1-(3-amino-4-methylphenyl)prop-1-enyl]piperidin-4-yl]benzonitrile
CID 89265349
1-[5-[1-[4-(4-cyanophenyl)piperidin-1-yl]ethenyl]-2-methylphenyl]-3-(2-pyridin-2-ylethyl)urea
CID 143698728
1-[5-[1-[4-(4-cyanophenyl)piperidin-1-yl]ethenyl]-2-methylphenyl]-3-[3-(methylamino)propyl]urea;formaldehyde;2-methylpropane
CID 143698630
4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile
CID 141349847

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile?
The IUPAC name of 4-[1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile (CID 130216383) is 4-[1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile.
What is the SMILES notation for 4-[1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile?
The canonical SMILES for 4-[1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile is C=C(c1ccc(C)cc1)N1CCC(c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-[1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile?
The InChIKey is VFNXCFBCKWYTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-16-3-7-19(8-4-16)17(2)23-13-11-21(12-14-23)20-9-5-18(15-22)6-10-20/h3-10,21H,2,11-14H2,1H3.
What are the key properties of 4-[1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile?
4-[1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile has a molecular weight of 302.42 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile is sourced from PubChem (CID 130216383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).