(1R)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanol

C22H26FN3O — CID 92556048

IUPAC(1R)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanol
SMILESCc1ccc(N2CCN(C[C@H](O)c3c[nH]c4ccc(F)cc34)CC2)c(C)c1
InChIInChI=1S/C22H26FN3O/c1-15-3-6-21(16(2)11-15)26-9-7-25(8-10-26)14-22(27)19-13-24-20-5-4-17(23)12-18(19)20/h3-6,11-13,22,24,27H,7-10,14H2,1-2H3/t22-/m0/s1
InChIKeyDCSZNNAYBJOULZ-QFIPXVFZSA-N
MW367.47 g/mol
LogP3.78
Rot. Bonds4

About (1R)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanol

(1R)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanol (PubChem CID 92556048) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is (1R)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanol
PubChem CID92556048
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name(1R)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanol
SMILESCc1ccc(N2CCN(C[C@H](O)c3c[nH]c4ccc(F)cc34)CC2)c(C)c1
InChIInChI=1S/C22H26FN3O/c1-15-3-6-21(16(2)11-15)26-9-7-25(8-10-26)14-22(27)19-13-24-20-5-4-17(23)12-18(19)20/h3-6,11-13,22,24,27H,7-10,14H2,1-2H3/t22-/m0/s1
InChIKeyDCSZNNAYBJOULZ-QFIPXVFZSA-N
XLogP3.78
TPSA42.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanol?
The IUPAC name of (1R)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanol (CID 92556048) is (1R)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanol.
What is the SMILES notation for (1R)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanol?
The canonical SMILES for (1R)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanol is Cc1ccc(N2CCN(C[C@H](O)c3c[nH]c4ccc(F)cc34)CC2)c(C)c1.
What is the InChIKey of (1R)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanol?
The InChIKey is DCSZNNAYBJOULZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-15-3-6-21(16(2)11-15)26-9-7-25(8-10-26)14-22(27)19-13-24-20-5-4-17(23)12-18(19)20/h3-6,11-13,22,24,27H,7-10,14H2,1-2H3/t22-/m0/s1.
What are the key properties of (1R)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanol?
(1R)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanol has a molecular weight of 367.47 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanol is sourced from PubChem (CID 92556048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).