[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-5-phenylmethoxyphenyl]methanol

C28H34N2O4 — CID 139709112

IUPAC[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-5-phenylmethoxyphenyl]methanol
SMILESCOc1ccccc1N1CCN(CCCOc2ccc(OCc3ccccc3)cc2CO)CC1
InChIInChI=1S/C28H34N2O4/c1-32-28-11-6-5-10-26(28)30-17-15-29(16-18-30)14-7-19-33-27-13-12-25(20-24(27)21-31)34-22-23-8-3-2-4-9-23/h2-6,8-13,20,31H,7,14-19,21-22H2,1H3
InChIKeyPVBQYPOXOQLZNZ-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.36
Rot. Bonds11

About [2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-5-phenylmethoxyphenyl]methanol

[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-5-phenylmethoxyphenyl]methanol (PubChem CID 139709112) has the molecular formula C28H34N2O4 and a molecular weight of 462.59 g/mol. Its IUPAC name is [2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-5-phenylmethoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-5-phenylmethoxyphenyl]methanol
PubChem CID139709112
Molecular FormulaC28H34N2O4
Molecular Weight462.59 g/mol
Exact Mass462.25
IUPAC Name[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-5-phenylmethoxyphenyl]methanol
SMILESCOc1ccccc1N1CCN(CCCOc2ccc(OCc3ccccc3)cc2CO)CC1
InChIInChI=1S/C28H34N2O4/c1-32-28-11-6-5-10-26(28)30-17-15-29(16-18-30)14-7-19-33-27-13-12-25(20-24(27)21-31)34-22-23-8-3-2-4-9-23/h2-6,8-13,20,31H,7,14-19,21-22H2,1H3
InChIKeyPVBQYPOXOQLZNZ-UHFFFAOYSA-N
XLogP4.36
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-5-phenylmethoxyphenyl]methanol?
The IUPAC name of [2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-5-phenylmethoxyphenyl]methanol (CID 139709112) is [2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-5-phenylmethoxyphenyl]methanol.
What is the SMILES notation for [2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-5-phenylmethoxyphenyl]methanol?
The canonical SMILES for [2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-5-phenylmethoxyphenyl]methanol is COc1ccccc1N1CCN(CCCOc2ccc(OCc3ccccc3)cc2CO)CC1.
What is the InChIKey of [2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-5-phenylmethoxyphenyl]methanol?
The InChIKey is PVBQYPOXOQLZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O4/c1-32-28-11-6-5-10-26(28)30-17-15-29(16-18-30)14-7-19-33-27-13-12-25(20-24(27)21-31)34-22-23-8-3-2-4-9-23/h2-6,8-13,20,31H,7,14-19,21-22H2,1H3.
What are the key properties of [2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-5-phenylmethoxyphenyl]methanol?
[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-5-phenylmethoxyphenyl]methanol has a molecular weight of 462.59 g/mol, XLogP of 4.36, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-5-phenylmethoxyphenyl]methanol is sourced from PubChem (CID 139709112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).