1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol dichloride

C24H34Cl2N2O6-2 — CID 21237473

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol dichloride
SMILESCOc1ccccc1N1CCN(CC(O)COCc2cc(OC)c(OC)c(OC)c2)CC1.[Cl-].[Cl-]
InChIInChI=1S/C24H34N2O6.2ClH/c1-28-21-8-6-5-7-20(21)26-11-9-25(10-12-26)15-19(27)17-32-16-18-13-22(29-2)24(31-4)23(14-18)30-3;;/h5-8,13-14,19,27H,9-12,15-17H2,1-4H3;2*1H/p-2
InChIKeyGKJUKVHQENTORL-UHFFFAOYSA-L
MW517.45 g/mol
LogP-3.57
Rot. Bonds11

About 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol dichloride

1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol dichloride (PubChem CID 21237473) has the molecular formula C24H34Cl2N2O6-2 and a molecular weight of 517.45 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol dichloride.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol dichloride
PubChem CID21237473
Molecular FormulaC24H34Cl2N2O6-2
Molecular Weight517.45 g/mol
Exact Mass516.18
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol dichloride
SMILESCOc1ccccc1N1CCN(CC(O)COCc2cc(OC)c(OC)c(OC)c2)CC1.[Cl-].[Cl-]
InChIInChI=1S/C24H34N2O6.2ClH/c1-28-21-8-6-5-7-20(21)26-11-9-25(10-12-26)15-19(27)17-32-16-18-13-22(29-2)24(31-4)23(14-18)30-3;;/h5-8,13-14,19,27H,9-12,15-17H2,1-4H3;2*1H/p-2
InChIKeyGKJUKVHQENTORL-UHFFFAOYSA-L
XLogP-3.57
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.45
LogP ≤ 5-3.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol dichloride with MolForge

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Related Compounds

1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 20535825
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 2866603
[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl] 3,4,5-trimethoxybenzoate
CID 110183536
1-thiomorpholin-4-yl-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol chloride
CID 21237646
(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7070608
(2S)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 34064926
(2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 40604099
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 829697
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol;hydrochloride
CID 45261253
1-(3,5-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 110183755
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-undecoxypropan-2-ol
CID 110181867
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-phenylmethoxynaphthalen-1-yl)oxypropan-2-ol
CID 14966307

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol dichloride?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol dichloride (CID 21237473) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol dichloride.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol dichloride?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol dichloride is COc1ccccc1N1CCN(CC(O)COCc2cc(OC)c(OC)c(OC)c2)CC1.[Cl-].[Cl-].
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol dichloride?
The InChIKey is GKJUKVHQENTORL-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H34N2O6.2ClH/c1-28-21-8-6-5-7-20(21)26-11-9-25(10-12-26)15-19(27)17-32-16-18-13-22(29-2)24(31-4)23(14-18)30-3;;/h5-8,13-14,19,27H,9-12,15-17H2,1-4H3;2*1H/p-2.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol dichloride?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol dichloride has a molecular weight of 517.45 g/mol, XLogP of -3.57, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol dichloride is sourced from PubChem (CID 21237473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).