(1R)-1-(2,5-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol

C22H27N3O — CID 92736497

IUPAC(1R)-1-(2,5-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol
SMILESCc1ccc2[nH]c(C)c([C@@H](O)CN3CCN(c4ccccc4)CC3)c2c1
InChIInChI=1S/C22H27N3O/c1-16-8-9-20-19(14-16)22(17(2)23-20)21(26)15-24-10-12-25(13-11-24)18-6-4-3-5-7-18/h3-9,14,21,23,26H,10-13,15H2,1-2H3/t21-/m0/s1
InChIKeyPOMXRVQCPSRLPL-NRFANRHFSA-N
MW349.48 g/mol
LogP3.64
Rot. Bonds4

About (1R)-1-(2,5-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol

(1R)-1-(2,5-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol (PubChem CID 92736497) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is (1R)-1-(2,5-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(2,5-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol
PubChem CID92736497
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name(1R)-1-(2,5-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol
SMILESCc1ccc2[nH]c(C)c([C@@H](O)CN3CCN(c4ccccc4)CC3)c2c1
InChIInChI=1S/C22H27N3O/c1-16-8-9-20-19(14-16)22(17(2)23-20)21(26)15-24-10-12-25(13-11-24)18-6-4-3-5-7-18/h3-9,14,21,23,26H,10-13,15H2,1-2H3/t21-/m0/s1
InChIKeyPOMXRVQCPSRLPL-NRFANRHFSA-N
XLogP3.64
TPSA42.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol?
The IUPAC name of (1R)-1-(2,5-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol (CID 92736497) is (1R)-1-(2,5-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol.
What is the SMILES notation for (1R)-1-(2,5-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol?
The canonical SMILES for (1R)-1-(2,5-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol is Cc1ccc2[nH]c(C)c([C@@H](O)CN3CCN(c4ccccc4)CC3)c2c1.
What is the InChIKey of (1R)-1-(2,5-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol?
The InChIKey is POMXRVQCPSRLPL-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27N3O/c1-16-8-9-20-19(14-16)22(17(2)23-20)21(26)15-24-10-12-25(13-11-24)18-6-4-3-5-7-18/h3-9,14,21,23,26H,10-13,15H2,1-2H3/t21-/m0/s1.
What are the key properties of (1R)-1-(2,5-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol?
(1R)-1-(2,5-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol has a molecular weight of 349.48 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,5-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol is sourced from PubChem (CID 92736497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).