4-[(1-phenylpiperidin-4-ylidene)methyl]naphthalene-1-carbonitrile

C23H20N2 — CID 54503479

IUPAC4-[(1-phenylpiperidin-4-ylidene)methyl]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(C=C2CCN(c3ccccc3)CC2)c2ccccc12
InChIInChI=1S/C23H20N2/c24-17-20-11-10-19(22-8-4-5-9-23(20)22)16-18-12-14-25(15-13-18)21-6-2-1-3-7-21/h1-11,16H,12-15H2
InChIKeyYEBNQUQCOVQUKH-UHFFFAOYSA-N
MW324.43 g/mol
LogP5.40
Rot. Bonds2

About 4-[(1-phenylpiperidin-4-ylidene)methyl]naphthalene-1-carbonitrile

4-[(1-phenylpiperidin-4-ylidene)methyl]naphthalene-1-carbonitrile (PubChem CID 54503479) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-[(1-phenylpiperidin-4-ylidene)methyl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-[(1-phenylpiperidin-4-ylidene)methyl]naphthalene-1-carbonitrile
PubChem CID54503479
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC Name4-[(1-phenylpiperidin-4-ylidene)methyl]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(C=C2CCN(c3ccccc3)CC2)c2ccccc12
InChIInChI=1S/C23H20N2/c24-17-20-11-10-19(22-8-4-5-9-23(20)22)16-18-12-14-25(15-13-18)21-6-2-1-3-7-21/h1-11,16H,12-15H2
InChIKeyYEBNQUQCOVQUKH-UHFFFAOYSA-N
XLogP5.40
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(1-phenylpiperidin-4-ylidene)methyl]naphthalene-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1-phenylpiperidin-4-ylidene)methyl]naphthalene-1-carbonitrile?
The IUPAC name of 4-[(1-phenylpiperidin-4-ylidene)methyl]naphthalene-1-carbonitrile (CID 54503479) is 4-[(1-phenylpiperidin-4-ylidene)methyl]naphthalene-1-carbonitrile.
What is the SMILES notation for 4-[(1-phenylpiperidin-4-ylidene)methyl]naphthalene-1-carbonitrile?
The canonical SMILES for 4-[(1-phenylpiperidin-4-ylidene)methyl]naphthalene-1-carbonitrile is N#Cc1ccc(C=C2CCN(c3ccccc3)CC2)c2ccccc12.
What is the InChIKey of 4-[(1-phenylpiperidin-4-ylidene)methyl]naphthalene-1-carbonitrile?
The InChIKey is YEBNQUQCOVQUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2/c24-17-20-11-10-19(22-8-4-5-9-23(20)22)16-18-12-14-25(15-13-18)21-6-2-1-3-7-21/h1-11,16H,12-15H2.
What are the key properties of 4-[(1-phenylpiperidin-4-ylidene)methyl]naphthalene-1-carbonitrile?
4-[(1-phenylpiperidin-4-ylidene)methyl]naphthalene-1-carbonitrile has a molecular weight of 324.43 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-phenylpiperidin-4-ylidene)methyl]naphthalene-1-carbonitrile is sourced from PubChem (CID 54503479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).