(1R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol

C21H25N3O2 — CID 2003978

IUPAC(1R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol
SMILESCOc1ccc(N2CCN(C[C@H](O)c3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-26-17-8-6-16(7-9-17)24-12-10-23(11-13-24)15-21(25)19-14-22-20-5-3-2-4-18(19)20/h2-9,14,21-22,25H,10-13,15H2,1H3/t21-/m0/s1
InChIKeyFQWQGJWISRBVCO-NRFANRHFSA-N
MW351.45 g/mol
LogP3.03
Rot. Bonds5

About (1R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol

(1R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol (PubChem CID 2003978) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (1R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol
PubChem CID2003978
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(1R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol
SMILESCOc1ccc(N2CCN(C[C@H](O)c3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-26-17-8-6-16(7-9-17)24-12-10-23(11-13-24)15-21(25)19-14-22-20-5-3-2-4-18(19)20/h2-9,14,21-22,25H,10-13,15H2,1H3/t21-/m0/s1
InChIKeyFQWQGJWISRBVCO-NRFANRHFSA-N
XLogP3.03
TPSA51.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze (1R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)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-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol
CID 3806013
(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanol
CID 2037410
(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol
CID 919244
(1R)-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(6-methoxy-1H-indol-3-yl)ethanol
CID 51872207
(1R)-1-(5-fluoro-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 92736475
(1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
CID 51586351
1-(5-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanol
CID 3254372
(1S)-1-(5-methoxy-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol
CID 7481670
(1S)-1-(1H-indol-6-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol
CID 92701020
1-[(2R)-2-hydroxy-2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 944689
(2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 2106519
1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol
CID 53180201

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol?
The IUPAC name of (1R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol (CID 2003978) is (1R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol?
The canonical SMILES for (1R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol is COc1ccc(N2CCN(C[C@H](O)c3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of (1R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol?
The InChIKey is FQWQGJWISRBVCO-NRFANRHFSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-26-17-8-6-16(7-9-17)24-12-10-23(11-13-24)15-21(25)19-14-22-20-5-3-2-4-18(19)20/h2-9,14,21-22,25H,10-13,15H2,1H3/t21-/m0/s1.
What are the key properties of (1R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol?
(1R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol has a molecular weight of 351.45 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 2003978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).