4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol

C24H34N2O4 — CID 23723517

IUPAC4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CN2CCN(CCCc3ccccc3)C(CCO)C2)cc(OC)c1O
InChIInChI=1S/C24H34N2O4/c1-29-22-15-20(16-23(30-2)24(22)28)17-25-12-13-26(21(18-25)10-14-27)11-6-9-19-7-4-3-5-8-19/h3-5,7-8,15-16,21,27-28H,6,9-14,17-18H2,1-2H3
InChIKeyIUPGIWDYFGKKFV-UHFFFAOYSA-N
MW414.55 g/mol
LogP2.91
Rot. Bonds10

About 4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol

4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol (PubChem CID 23723517) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is 4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
PubChem CID23723517
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC Name4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CN2CCN(CCCc3ccccc3)C(CCO)C2)cc(OC)c1O
InChIInChI=1S/C24H34N2O4/c1-29-22-15-20(16-23(30-2)24(22)28)17-25-12-13-26(21(18-25)10-14-27)11-6-9-19-7-4-3-5-8-19/h3-5,7-8,15-16,21,27-28H,6,9-14,17-18H2,1-2H3
InChIKeyIUPGIWDYFGKKFV-UHFFFAOYSA-N
XLogP2.91
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol (CID 23723517) is 4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol is COc1cc(CN2CCN(CCCc3ccccc3)C(CCO)C2)cc(OC)c1O.
What is the InChIKey of 4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
The InChIKey is IUPGIWDYFGKKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4/c1-29-22-15-20(16-23(30-2)24(22)28)17-25-12-13-26(21(18-25)10-14-27)11-6-9-19-7-4-3-5-8-19/h3-5,7-8,15-16,21,27-28H,6,9-14,17-18H2,1-2H3.
What are the key properties of 4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol has a molecular weight of 414.55 g/mol, XLogP of 2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 23723517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).