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

C26H30N2O2 — CID 10692498

IUPAC3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-phenylphenyl)propan-1-ol
SMILESCOc1ccccc1N1CCN(CCC(O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C26H30N2O2/c1-30-26-10-6-5-9-24(26)28-19-17-27(18-20-28)16-15-25(29)23-13-11-22(12-14-23)21-7-3-2-4-8-21/h2-14,25,29H,15-20H2,1H3
InChIKeyLLNFVVXSTGRSIR-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.61
Rot. Bonds7

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

3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-phenylphenyl)propan-1-ol (PubChem CID 10692498) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-phenylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-phenylphenyl)propan-1-ol
PubChem CID10692498
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-phenylphenyl)propan-1-ol
SMILESCOc1ccccc1N1CCN(CCC(O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C26H30N2O2/c1-30-26-10-6-5-9-24(26)28-19-17-27(18-20-28)16-15-25(29)23-13-11-22(12-14-23)21-7-3-2-4-8-21/h2-14,25,29H,15-20H2,1H3
InChIKeyLLNFVVXSTGRSIR-UHFFFAOYSA-N
XLogP4.61
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-phenylphenyl)propan-1-ol?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-phenylphenyl)propan-1-ol (CID 10692498) is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-phenylphenyl)propan-1-ol.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-phenylphenyl)propan-1-ol?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-phenylphenyl)propan-1-ol is COc1ccccc1N1CCN(CCC(O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-phenylphenyl)propan-1-ol?
The InChIKey is LLNFVVXSTGRSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-30-26-10-6-5-9-24(26)28-19-17-27(18-20-28)16-15-25(29)23-13-11-22(12-14-23)21-7-3-2-4-8-21/h2-14,25,29H,15-20H2,1H3.
What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-phenylphenyl)propan-1-ol?
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-phenylphenyl)propan-1-ol has a molecular weight of 402.54 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-phenylphenyl)propan-1-ol is sourced from PubChem (CID 10692498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).