3-[3,4-dimethyl-1-[3-(2-methylphenyl)prop-2-enyl]piperidin-4-yl]phenol

C23H29NO — CID 85050089

IUPAC3-[3,4-dimethyl-1-[3-(2-methylphenyl)prop-2-enyl]piperidin-4-yl]phenol
SMILESCc1ccccc1C=CCN1CCC(C)(c2cccc(O)c2)C(C)C1
InChIInChI=1S/C23H29NO/c1-18-8-4-5-9-20(18)10-7-14-24-15-13-23(3,19(2)17-24)21-11-6-12-22(25)16-21/h4-12,16,19,25H,13-15,17H2,1-3H3
InChIKeyFJFLDQXXCJUUBR-UHFFFAOYSA-N
MW335.49 g/mol
LogP5.01
Rot. Bonds4

About 3-[3,4-dimethyl-1-[3-(2-methylphenyl)prop-2-enyl]piperidin-4-yl]phenol

3-[3,4-dimethyl-1-[3-(2-methylphenyl)prop-2-enyl]piperidin-4-yl]phenol (PubChem CID 85050089) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 3-[3,4-dimethyl-1-[3-(2-methylphenyl)prop-2-enyl]piperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[3,4-dimethyl-1-[3-(2-methylphenyl)prop-2-enyl]piperidin-4-yl]phenol
PubChem CID85050089
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name3-[3,4-dimethyl-1-[3-(2-methylphenyl)prop-2-enyl]piperidin-4-yl]phenol
SMILESCc1ccccc1C=CCN1CCC(C)(c2cccc(O)c2)C(C)C1
InChIInChI=1S/C23H29NO/c1-18-8-4-5-9-20(18)10-7-14-24-15-13-23(3,19(2)17-24)21-11-6-12-22(25)16-21/h4-12,16,19,25H,13-15,17H2,1-3H3
InChIKeyFJFLDQXXCJUUBR-UHFFFAOYSA-N
XLogP5.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[3,4-dimethyl-1-[3-(2-methylphenyl)prop-2-enyl]piperidin-4-yl]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

3-[(3R,4R)-3,4-dimethyl-1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]phenol
CID 10087577
3-[(3R,4R)-3,4-dimethyl-1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]phenol
CID 10381553
3-[(3R,4S)-1-[(3R)-3-hydroxy-4-methylpentyl]-3,4-dimethylpiperidin-4-yl]phenol
CID 18637263
3-[1-(cyclopentylmethyl)-3,4-dimethylpiperidin-4-yl]phenol
CID 15670123
3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol
CID 10423544
3-[(3R,4S)-1-[(3R)-3-hydroxy-4-methylpentyl]-3,4-dimethylpiperidin-4-yl]phenol;hydrochloride
CID 18637262
4-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butan-2-one
CID 58583518
3-[1-[(3S)-3-hydroxy-3-phenylpropyl]-3,4-dimethylpiperidin-4-yl]phenol
CID 67562037
3-[(3R,4R)-3,4-dimethyl-1-(4-phenylbutyl)piperidin-4-yl]phenol
CID 10382459
3-[(3R,4S)-1-heptyl-3,4-dimethylpiperidin-4-yl]phenol;hydrochloride
CID 18637251
3-[(3R,4S)-3,4-dimethyl-1-(5-methylhexyl)piperidin-4-yl]phenol
CID 18637244
3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamide
CID 141106178

Frequently Asked Questions

What is the IUPAC name of 3-[3,4-dimethyl-1-[3-(2-methylphenyl)prop-2-enyl]piperidin-4-yl]phenol?
The IUPAC name of 3-[3,4-dimethyl-1-[3-(2-methylphenyl)prop-2-enyl]piperidin-4-yl]phenol (CID 85050089) is 3-[3,4-dimethyl-1-[3-(2-methylphenyl)prop-2-enyl]piperidin-4-yl]phenol.
What is the SMILES notation for 3-[3,4-dimethyl-1-[3-(2-methylphenyl)prop-2-enyl]piperidin-4-yl]phenol?
The canonical SMILES for 3-[3,4-dimethyl-1-[3-(2-methylphenyl)prop-2-enyl]piperidin-4-yl]phenol is Cc1ccccc1C=CCN1CCC(C)(c2cccc(O)c2)C(C)C1.
What is the InChIKey of 3-[3,4-dimethyl-1-[3-(2-methylphenyl)prop-2-enyl]piperidin-4-yl]phenol?
The InChIKey is FJFLDQXXCJUUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-18-8-4-5-9-20(18)10-7-14-24-15-13-23(3,19(2)17-24)21-11-6-12-22(25)16-21/h4-12,16,19,25H,13-15,17H2,1-3H3.
What are the key properties of 3-[3,4-dimethyl-1-[3-(2-methylphenyl)prop-2-enyl]piperidin-4-yl]phenol?
3-[3,4-dimethyl-1-[3-(2-methylphenyl)prop-2-enyl]piperidin-4-yl]phenol has a molecular weight of 335.49 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,4-dimethyl-1-[3-(2-methylphenyl)prop-2-enyl]piperidin-4-yl]phenol is sourced from PubChem (CID 85050089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).