2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol

C25H33N3O3 — CID 23723658

IUPAC2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol
SMILESCOc1cc(CN2CCN(Cc3cn(C)c4ccccc34)CC2CCO)cc(OC)c1
InChIInChI=1S/C25H33N3O3/c1-26-16-20(24-6-4-5-7-25(24)26)17-27-9-10-28(21(18-27)8-11-29)15-19-12-22(30-2)14-23(13-19)31-3/h4-7,12-14,16,21,29H,8-11,15,17-18H2,1-3H3
InChIKeyLNDGNWCEDBSUPC-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.26
Rot. Bonds8

About 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol

2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 23723658) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol
PubChem CID23723658
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol
SMILESCOc1cc(CN2CCN(Cc3cn(C)c4ccccc34)CC2CCO)cc(OC)c1
InChIInChI=1S/C25H33N3O3/c1-26-16-20(24-6-4-5-7-25(24)26)17-27-9-10-28(21(18-27)8-11-29)15-19-12-22(30-2)14-23(13-19)31-3/h4-7,12-14,16,21,29H,8-11,15,17-18H2,1-3H3
InChIKeyLNDGNWCEDBSUPC-UHFFFAOYSA-N
XLogP3.26
TPSA50.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol (CID 23723658) is 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol is COc1cc(CN2CCN(Cc3cn(C)c4ccccc34)CC2CCO)cc(OC)c1.
What is the InChIKey of 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is LNDGNWCEDBSUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-26-16-20(24-6-4-5-7-25(24)26)17-27-9-10-28(21(18-27)8-11-29)15-19-12-22(30-2)14-23(13-19)31-3/h4-7,12-14,16,21,29H,8-11,15,17-18H2,1-3H3.
What are the key properties of 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol?
2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 423.56 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 23723658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).