3-[(E)-1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenylethenyl]phenol

C26H27NO — CID 145429984

IUPAC3-[(E)-1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenylethenyl]phenol
SMILESCN1CCC(c2ccc(/C(=C\c3ccccc3)c3cccc(O)c3)cc2)CC1
InChIInChI=1S/C26H27NO/c1-27-16-14-22(15-17-27)21-10-12-23(13-11-21)26(18-20-6-3-2-4-7-20)24-8-5-9-25(28)19-24/h2-13,18-19,22,28H,14-17H2,1H3/b26-18+
InChIKeyZMZRFOAHYWKQHC-NLRVBDNBSA-N
MW369.51 g/mol
LogP5.79
Rot. Bonds4

About 3-[(E)-1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenylethenyl]phenol

3-[(E)-1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenylethenyl]phenol (PubChem CID 145429984) has the molecular formula C26H27NO and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-[(E)-1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenylethenyl]phenol.

Molecular Properties

Compound Name3-[(E)-1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenylethenyl]phenol
PubChem CID145429984
Molecular FormulaC26H27NO
Molecular Weight369.51 g/mol
Exact Mass369.21
IUPAC Name3-[(E)-1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenylethenyl]phenol
SMILESCN1CCC(c2ccc(/C(=C\c3ccccc3)c3cccc(O)c3)cc2)CC1
InChIInChI=1S/C26H27NO/c1-27-16-14-22(15-17-27)21-10-12-23(13-11-21)26(18-20-6-3-2-4-7-20)24-8-5-9-25(28)19-24/h2-13,18-19,22,28H,14-17H2,1H3/b26-18+
InChIKeyZMZRFOAHYWKQHC-NLRVBDNBSA-N
XLogP5.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(E)-1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenylethenyl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-(1-methylpiperidin-4-yl)phenyl]-2-oxoacetic acid
CID 117370492
4-(1-methylazepan-4-yl)benzoic acid
CID 83841215
1-[(E)-1,2-diphenylethenyl]-3-phenylbenzene
CID 121493700
1,4-bis[(Z)-2-[4-[(Z)-2-(4-cyclohexylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene
CID 148701620
1-[3-[(E)-1,2-diphenylethenyl]phenyl]ethanone
CID 121493701
N-[4-[2-(4-cyclohexylphenyl)-2-phenylethenyl]phenyl]-N-phenyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 54386971
ethanethiol;1-methyl-4-phenylpiperidine
CID 142821268
3-amino-1-[4-(1-methylpiperidin-4-yl)phenyl]propan-1-one
CID 117368627
1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene
CID 102283566
3-chloro-4-(1-methylpiperidin-4-yl)phenol
CID 84690225
1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106
CID 145001791
CID 145001791

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenylethenyl]phenol?
The IUPAC name of 3-[(E)-1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenylethenyl]phenol (CID 145429984) is 3-[(E)-1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenylethenyl]phenol.
What is the SMILES notation for 3-[(E)-1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenylethenyl]phenol?
The canonical SMILES for 3-[(E)-1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenylethenyl]phenol is CN1CCC(c2ccc(/C(=C\c3ccccc3)c3cccc(O)c3)cc2)CC1.
What is the InChIKey of 3-[(E)-1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenylethenyl]phenol?
The InChIKey is ZMZRFOAHYWKQHC-NLRVBDNBSA-N. The full InChI is InChI=1S/C26H27NO/c1-27-16-14-22(15-17-27)21-10-12-23(13-11-21)26(18-20-6-3-2-4-7-20)24-8-5-9-25(28)19-24/h2-13,18-19,22,28H,14-17H2,1H3/b26-18+.
What are the key properties of 3-[(E)-1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenylethenyl]phenol?
3-[(E)-1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenylethenyl]phenol has a molecular weight of 369.51 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenylethenyl]phenol is sourced from PubChem (CID 145429984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).