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

C21H28N2O3 — CID 14422843

IUPAC4-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenoxybutan-2-ol
SMILESCOc1cccc(N2CCN(CCC(O)COc3ccccc3)CC2)c1
InChIInChI=1S/C21H28N2O3/c1-25-21-9-5-6-18(16-21)23-14-12-22(13-15-23)11-10-19(24)17-26-20-7-3-2-4-8-20/h2-9,16,19,24H,10-15,17H2,1H3
InChIKeyQPICHVSQEXFDIS-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.65
Rot. Bonds8

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

4-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenoxybutan-2-ol (PubChem CID 14422843) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenoxybutan-2-ol.

Molecular Properties

Compound Name4-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenoxybutan-2-ol
PubChem CID14422843
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name4-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenoxybutan-2-ol
SMILESCOc1cccc(N2CCN(CCC(O)COc3ccccc3)CC2)c1
InChIInChI=1S/C21H28N2O3/c1-25-21-9-5-6-18(16-21)23-14-12-22(13-15-23)11-10-19(24)17-26-20-7-3-2-4-8-20/h2-9,16,19,24H,10-15,17H2,1H3
InChIKeyQPICHVSQEXFDIS-UHFFFAOYSA-N
XLogP2.65
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenoxybutan-2-ol?
The IUPAC name of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenoxybutan-2-ol (CID 14422843) is 4-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenoxybutan-2-ol.
What is the SMILES notation for 4-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenoxybutan-2-ol?
The canonical SMILES for 4-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenoxybutan-2-ol is COc1cccc(N2CCN(CCC(O)COc3ccccc3)CC2)c1.
What is the InChIKey of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenoxybutan-2-ol?
The InChIKey is QPICHVSQEXFDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-25-21-9-5-6-18(16-21)23-14-12-22(13-15-23)11-10-19(24)17-26-20-7-3-2-4-8-20/h2-9,16,19,24H,10-15,17H2,1H3.
What are the key properties of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenoxybutan-2-ol?
4-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenoxybutan-2-ol has a molecular weight of 356.47 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenoxybutan-2-ol is sourced from PubChem (CID 14422843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).