1-phenoxy-4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]butan-2-ol

C23H32N2O5 — CID 15631758

IUPAC1-phenoxy-4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]butan-2-ol
SMILESCOc1cc(N2CCN(CCC(O)COc3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C23H32N2O5/c1-27-21-15-18(16-22(28-2)23(21)29-3)25-13-11-24(12-14-25)10-9-19(26)17-30-20-7-5-4-6-8-20/h4-8,15-16,19,26H,9-14,17H2,1-3H3
InChIKeyXMTLRPUPJXEZSF-UHFFFAOYSA-N
MW416.52 g/mol
LogP2.66
Rot. Bonds10

About 1-phenoxy-4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]butan-2-ol

1-phenoxy-4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]butan-2-ol (PubChem CID 15631758) has the molecular formula C23H32N2O5 and a molecular weight of 416.52 g/mol. Its IUPAC name is 1-phenoxy-4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-phenoxy-4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]butan-2-ol
PubChem CID15631758
Molecular FormulaC23H32N2O5
Molecular Weight416.52 g/mol
Exact Mass416.23
IUPAC Name1-phenoxy-4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]butan-2-ol
SMILESCOc1cc(N2CCN(CCC(O)COc3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C23H32N2O5/c1-27-21-15-18(16-22(28-2)23(21)29-3)25-13-11-24(12-14-25)10-9-19(26)17-30-20-7-5-4-6-8-20/h4-8,15-16,19,26H,9-14,17H2,1-3H3
InChIKeyXMTLRPUPJXEZSF-UHFFFAOYSA-N
XLogP2.66
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-phenoxy-4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-2,6-dimethylphenoxy)-4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]butan-2-ol;oxalic acid
CID 19840237
4-[4-(3-hydroxy-4-phenoxybutyl)piperazin-1-yl]benzonitrile
CID 19840232
1-(4-bromophenoxy)-4-(4-phenylpiperazin-1-yl)butan-2-ol
CID 14422879
1-(4-chlorophenoxy)-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-2-ol;dihydrochloride
CID 14422870
[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 3671492
1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol
CID 14422864
1-[4-[2-hydroxy-4-(4-methylpiperazin-1-yl)butoxy]phenoxy]-4-(4-methylpiperazin-1-yl)butan-2-ol
CID 3131868
1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol;dihydrochloride
CID 14422865
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol
CID 15634210
1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 2833082

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]butan-2-ol?
The IUPAC name of 1-phenoxy-4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]butan-2-ol (CID 15631758) is 1-phenoxy-4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]butan-2-ol.
What is the SMILES notation for 1-phenoxy-4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]butan-2-ol?
The canonical SMILES for 1-phenoxy-4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]butan-2-ol is COc1cc(N2CCN(CCC(O)COc3ccccc3)CC2)cc(OC)c1OC.
What is the InChIKey of 1-phenoxy-4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]butan-2-ol?
The InChIKey is XMTLRPUPJXEZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5/c1-27-21-15-18(16-22(28-2)23(21)29-3)25-13-11-24(12-14-25)10-9-19(26)17-30-20-7-5-4-6-8-20/h4-8,15-16,19,26H,9-14,17H2,1-3H3.
What are the key properties of 1-phenoxy-4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]butan-2-ol?
1-phenoxy-4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]butan-2-ol has a molecular weight of 416.52 g/mol, XLogP of 2.66, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-4-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]butan-2-ol is sourced from PubChem (CID 15631758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).