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

C24H34N2O3 — CID 23723769

IUPAC2-[4-[(2,5-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESCOc1ccc(OC)c(CN2CCN(CCCc3ccccc3)C(CCO)C2)c1
InChIInChI=1S/C24H34N2O3/c1-28-23-10-11-24(29-2)21(17-23)18-25-14-15-26(22(19-25)12-16-27)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,17,22,27H,6,9,12-16,18-19H2,1-2H3
InChIKeyIRASVPCZGURRLA-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.21
Rot. Bonds10

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

2-[4-[(2,5-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol (PubChem CID 23723769) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-[4-[(2,5-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2,5-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
PubChem CID23723769
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name2-[4-[(2,5-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESCOc1ccc(OC)c(CN2CCN(CCCc3ccccc3)C(CCO)C2)c1
InChIInChI=1S/C24H34N2O3/c1-28-23-10-11-24(29-2)21(17-23)18-25-14-15-26(22(19-25)12-16-27)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,17,22,27H,6,9,12-16,18-19H2,1-2H3
InChIKeyIRASVPCZGURRLA-UHFFFAOYSA-N
XLogP3.21
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(2,5-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol (CID 23723769) is 2-[4-[(2,5-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(2,5-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(2,5-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol is COc1ccc(OC)c(CN2CCN(CCCc3ccccc3)C(CCO)C2)c1.
What is the InChIKey of 2-[4-[(2,5-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The InChIKey is IRASVPCZGURRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-28-23-10-11-24(29-2)21(17-23)18-25-14-15-26(22(19-25)12-16-27)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,17,22,27H,6,9,12-16,18-19H2,1-2H3.
What are the key properties of 2-[4-[(2,5-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
2-[4-[(2,5-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol has a molecular weight of 398.55 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 23723769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).