1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol

C32H38Cl4N4O4 — CID 16645513

IUPAC1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
SMILESOC(COc1ccc(OCC(O)CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C32H38Cl4N4O4/c33-29-7-1-23(17-31(29)35)39-13-9-37(10-14-39)19-25(41)21-43-27-3-5-28(6-4-27)44-22-26(42)20-38-11-15-40(16-12-38)24-2-8-30(34)32(36)18-24/h1-8,17-18,25-26,41-42H,9-16,19-22H2
InChIKeyDGPXHQWIZBVPDM-UHFFFAOYSA-N
MW684.49 g/mol
LogP5.42
Rot. Bonds12

About 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol

1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol (PubChem CID 16645513) has the molecular formula C32H38Cl4N4O4 and a molecular weight of 684.49 g/mol. Its IUPAC name is 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
PubChem CID16645513
Molecular FormulaC32H38Cl4N4O4
Molecular Weight684.49 g/mol
Exact Mass682.16
IUPAC Name1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
SMILESOC(COc1ccc(OCC(O)CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C32H38Cl4N4O4/c33-29-7-1-23(17-31(29)35)39-13-9-37(10-14-39)19-25(41)21-43-27-3-5-28(6-4-27)44-22-26(42)20-38-11-15-40(16-12-38)24-2-8-30(34)32(36)18-24/h1-8,17-18,25-26,41-42H,9-16,19-22H2
InChIKeyDGPXHQWIZBVPDM-UHFFFAOYSA-N
XLogP5.42
TPSA71.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.49
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]urea
CID 67250924
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133200
N-[4-[3-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 2962059
1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride
CID 21236715
1-(4-chloro-3-methylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2770432
1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride
CID 53352471
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol;hydrochloride
CID 16807134
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-(4-methylphenoxy)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol
CID 92856434
(Z)-2-(3,4-dichlorophenyl)-3-[4-[2-hydroxy-3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]phenyl]prop-2-enenitrile
CID 162650508
(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 66549919

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol?
The IUPAC name of 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol (CID 16645513) is 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol?
The canonical SMILES for 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol is OC(COc1ccc(OCC(O)CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol?
The InChIKey is DGPXHQWIZBVPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38Cl4N4O4/c33-29-7-1-23(17-31(29)35)39-13-9-37(10-14-39)19-25(41)21-43-27-3-5-28(6-4-27)44-22-26(42)20-38-11-15-40(16-12-38)24-2-8-30(34)32(36)18-24/h1-8,17-18,25-26,41-42H,9-16,19-22H2.
What are the key properties of 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol?
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol has a molecular weight of 684.49 g/mol, XLogP of 5.42, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol is sourced from PubChem (CID 16645513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).