1-(2,6-dichlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol

C19H22Cl2N2O2 — CID 4024808

IUPAC1-(2,6-dichlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESOC(COc1c(Cl)cccc1Cl)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22Cl2N2O2/c20-17-7-4-8-18(21)19(17)25-14-16(24)13-22-9-11-23(12-10-22)15-5-2-1-3-6-15/h1-8,16,24H,9-14H2
InChIKeyKHVFQJXVKZJFIO-UHFFFAOYSA-N
MW381.30 g/mol
LogP3.56
Rot. Bonds6

About 1-(2,6-dichlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol

1-(2,6-dichlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol (PubChem CID 4024808) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is 1-(2,6-dichlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
PubChem CID4024808
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC Name1-(2,6-dichlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESOC(COc1c(Cl)cccc1Cl)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22Cl2N2O2/c20-17-7-4-8-18(21)19(17)25-14-16(24)13-22-9-11-23(12-10-22)15-5-2-1-3-6-15/h1-8,16,24H,9-14H2
InChIKeyKHVFQJXVKZJFIO-UHFFFAOYSA-N
XLogP3.56
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2882652
(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-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride
CID 53352471
1-(4-chloro-3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2873605
1-(4-chloro-3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2873604
(2S)-1-(4-chloronaphthalen-1-yl)oxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 8669464
(2R)-1-(3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 764656
(2S)-1-(4-cyclopropyl-1,4-diazepan-1-yl)-3-(2,6-dichlorophenoxy)propan-2-ol
CID 97010622
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 1325664
(2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 722988
(2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 1177221

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-(2,6-dichlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol (CID 4024808) is 1-(2,6-dichlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol is OC(COc1c(Cl)cccc1Cl)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(2,6-dichlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The InChIKey is KHVFQJXVKZJFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2/c20-17-7-4-8-18(21)19(17)25-14-16(24)13-22-9-11-23(12-10-22)15-5-2-1-3-6-15/h1-8,16,24H,9-14H2.
What are the key properties of 1-(2,6-dichlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol?
1-(2,6-dichlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol has a molecular weight of 381.30 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 4024808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).