(1R)-1-(3,4-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol

C21H28N2O3 — CID 95104734

IUPAC(1R)-1-(3,4-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol
SMILESCOc1ccc([C@@H](O)CN2CCN(c3ccc(C)cc3)CC2)cc1OC
InChIInChI=1S/C21H28N2O3/c1-16-4-7-18(8-5-16)23-12-10-22(11-13-23)15-19(24)17-6-9-20(25-2)21(14-17)26-3/h4-9,14,19,24H,10-13,15H2,1-3H3/t19-/m0/s1
InChIKeyJJZIUCPUZVMTHQ-IBGZPJMESA-N
MW356.47 g/mol
LogP2.87
Rot. Bonds6

About (1R)-1-(3,4-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol

(1R)-1-(3,4-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol (PubChem CID 95104734) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is (1R)-1-(3,4-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(3,4-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol
PubChem CID95104734
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name(1R)-1-(3,4-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol
SMILESCOc1ccc([C@@H](O)CN2CCN(c3ccc(C)cc3)CC2)cc1OC
InChIInChI=1S/C21H28N2O3/c1-16-4-7-18(8-5-16)23-12-10-22(11-13-23)15-19(24)17-6-9-20(25-2)21(14-17)26-3/h4-9,14,19,24H,10-13,15H2,1-3H3/t19-/m0/s1
InChIKeyJJZIUCPUZVMTHQ-IBGZPJMESA-N
XLogP2.87
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze (1R)-1-(3,4-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol 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-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol
CID 53180160
1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol
CID 53180201
1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol
CID 56686974
2-[4-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one
CID 13298564
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
(1S)-2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanol
CID 95104680
(1R)-1-(4-methoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 95104720
(1S)-1-(1H-indol-6-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol
CID 92701020
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 82120406
(1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 94264435
3-[4-(4-methylphenyl)piperazin-1-yl]propane-1,2-diol
CID 71329061
(1S)-1-[4-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-morpholin-4-ylethanol
CID 126432061

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol?
The IUPAC name of (1R)-1-(3,4-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol (CID 95104734) is (1R)-1-(3,4-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(3,4-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol?
The canonical SMILES for (1R)-1-(3,4-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol is COc1ccc([C@@H](O)CN2CCN(c3ccc(C)cc3)CC2)cc1OC.
What is the InChIKey of (1R)-1-(3,4-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol?
The InChIKey is JJZIUCPUZVMTHQ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28N2O3/c1-16-4-7-18(8-5-16)23-12-10-22(11-13-23)15-19(24)17-6-9-20(25-2)21(14-17)26-3/h4-9,14,19,24H,10-13,15H2,1-3H3/t19-/m0/s1.
What are the key properties of (1R)-1-(3,4-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol?
(1R)-1-(3,4-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol has a molecular weight of 356.47 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 95104734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).