1-(4-methoxyphenoxy)-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol

C24H34N2O6 — CID 12902639

IUPAC1-(4-methoxyphenoxy)-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol
SMILESCOc1ccc(OCC(O)CN2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc1
InChIInChI=1S/C24H34N2O6/c1-28-20-6-8-21(9-7-20)32-17-19(27)16-26-13-11-25(12-14-26)15-18-5-10-22(29-2)24(31-4)23(18)30-3/h5-10,19,27H,11-17H2,1-4H3
InChIKeyPFPYAZQTHSHAKK-UHFFFAOYSA-N
MW446.54 g/mol
LogP2.28
Rot. Bonds11

About 1-(4-methoxyphenoxy)-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol

1-(4-methoxyphenoxy)-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 12902639) has the molecular formula C24H34N2O6 and a molecular weight of 446.54 g/mol. Its IUPAC name is 1-(4-methoxyphenoxy)-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-methoxyphenoxy)-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol
PubChem CID12902639
Molecular FormulaC24H34N2O6
Molecular Weight446.54 g/mol
Exact Mass446.24
IUPAC Name1-(4-methoxyphenoxy)-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol
SMILESCOc1ccc(OCC(O)CN2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc1
InChIInChI=1S/C24H34N2O6/c1-28-20-6-8-21(9-7-20)32-17-19(27)16-26-13-11-25(12-14-26)15-18-5-10-22(29-2)24(31-4)23(18)30-3/h5-10,19,27H,11-17H2,1-4H3
InChIKeyPFPYAZQTHSHAKK-UHFFFAOYSA-N
XLogP2.28
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(4-methoxyphenoxy)-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride
CID 3049530
1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride
CID 2867463
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
CID 55466655
1-(4-methoxyphenoxy)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3388778
1-[5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 72857305
(2R)-1-(2,6-dimethoxyphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1080818
1-[(2S)-butan-2-yl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 787037
1-(azocan-1-yl)-3-[5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]phenoxy]propan-2-ol
CID 45248101
N-(4-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 24745617
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025
1-(4-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 4041027

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenoxy)-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(4-methoxyphenoxy)-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol (CID 12902639) is 1-(4-methoxyphenoxy)-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-methoxyphenoxy)-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-methoxyphenoxy)-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol is COc1ccc(OCC(O)CN2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenoxy)-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is PFPYAZQTHSHAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O6/c1-28-20-6-8-21(9-7-20)32-17-19(27)16-26-13-11-25(12-14-26)15-18-5-10-22(29-2)24(31-4)23(18)30-3/h5-10,19,27H,11-17H2,1-4H3.
What are the key properties of 1-(4-methoxyphenoxy)-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol?
1-(4-methoxyphenoxy)-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 446.54 g/mol, XLogP of 2.28, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenoxy)-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 12902639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).