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

C32H40Cl2N4O4 — CID 19133200

IUPAC1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
SMILESOC(COc1ccc(OCC(O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C32H40Cl2N4O4/c33-25-1-5-27(6-2-25)37-17-13-35(14-18-37)21-29(39)23-41-31-9-11-32(12-10-31)42-24-30(40)22-36-15-19-38(20-16-36)28-7-3-26(34)4-8-28/h1-12,29-30,39-40H,13-24H2
InChIKeyQVRQJLVXJWVVJW-UHFFFAOYSA-N
MW615.60 g/mol
LogP4.12
Rot. Bonds12

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

1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol (PubChem CID 19133200) has the molecular formula C32H40Cl2N4O4 and a molecular weight of 615.60 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
PubChem CID19133200
Molecular FormulaC32H40Cl2N4O4
Molecular Weight615.60 g/mol
Exact Mass614.24
IUPAC Name1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
SMILESOC(COc1ccc(OCC(O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C32H40Cl2N4O4/c33-25-1-5-27(6-2-25)37-17-13-35(14-18-37)21-29(39)23-41-31-9-11-32(12-10-31)42-24-30(40)22-36-15-19-38(20-16-36)28-7-3-26(34)4-8-28/h1-12,29-30,39-40H,13-24H2
InChIKeyQVRQJLVXJWVVJW-UHFFFAOYSA-N
XLogP4.12
TPSA71.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500615.60
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride
CID 21236715
1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride
CID 53352471
[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 3954727
1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol
CID 14422864
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
1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol;dihydrochloride
CID 14422865
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-[4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 71960280
1-(4-chlorophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3747847
(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
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 8669631
(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)oxy]propan-2-ol
CID 58329036

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol?
The IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol (CID 19133200) is 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol?
The canonical SMILES for 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol is OC(COc1ccc(OCC(O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1)CN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol?
The InChIKey is QVRQJLVXJWVVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40Cl2N4O4/c33-25-1-5-27(6-2-25)37-17-13-35(14-18-37)21-29(39)23-41-31-9-11-32(12-10-31)42-24-30(40)22-36-15-19-38(20-16-36)28-7-3-26(34)4-8-28/h1-12,29-30,39-40H,13-24H2.
What are the key properties of 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol?
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol has a molecular weight of 615.60 g/mol, XLogP of 4.12, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol is sourced from PubChem (CID 19133200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).