1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol

C24H31N3O3 — CID 3151625

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
SMILESCOc1ccc(-c2cc3ccccc3n2CC(O)CN2CCN(CCO)CC2)cc1
InChIInChI=1S/C24H31N3O3/c1-30-22-8-6-19(7-9-22)24-16-20-4-2-3-5-23(20)27(24)18-21(29)17-26-12-10-25(11-13-26)14-15-28/h2-9,16,21,28-29H,10-15,17-18H2,1H3
InChIKeyPUPJUOFXSFHWKW-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.29
Rot. Bonds8

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol

1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol (PubChem CID 3151625) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
PubChem CID3151625
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
SMILESCOc1ccc(-c2cc3ccccc3n2CC(O)CN2CCN(CCO)CC2)cc1
InChIInChI=1S/C24H31N3O3/c1-30-22-8-6-19(7-9-22)24-16-20-4-2-3-5-23(20)27(24)18-21(29)17-26-12-10-25(11-13-26)14-15-28/h2-9,16,21,28-29H,10-15,17-18H2,1H3
InChIKeyPUPJUOFXSFHWKW-UHFFFAOYSA-N
XLogP2.29
TPSA61.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol with MolForge

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3-[(1R,3R)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2,2-difluoro-propan-1-ol
CID 121410551
(1R,3R)-1-[2,6-difluoro-4-(1-propylazetidin-3-yl)oxyphenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
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CID 121410624
(2R)-3-[(1R,3R)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-fluoro-2-methylpropan-1-ol
CID 121410628
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol (CID 3151625) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol is COc1ccc(-c2cc3ccccc3n2CC(O)CN2CCN(CCO)CC2)cc1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol?
The InChIKey is PUPJUOFXSFHWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-30-22-8-6-19(7-9-22)24-16-20-4-2-3-5-23(20)27(24)18-21(29)17-26-12-10-25(11-13-26)14-15-28/h2-9,16,21,28-29H,10-15,17-18H2,1H3.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol has a molecular weight of 409.53 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol is sourced from PubChem (CID 3151625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).