2-(2,3-dichlorophenyl)-2-piperazin-1-ylpropan-1-ol

C13H18Cl2N2O — CID 114079755

IUPAC2-(2,3-dichlorophenyl)-2-piperazin-1-ylpropan-1-ol
SMILESCC(CO)(c1cccc(Cl)c1Cl)N1CCNCC1
InChIInChI=1S/C13H18Cl2N2O/c1-13(9-18,17-7-5-16-6-8-17)10-3-2-4-11(14)12(10)15/h2-4,16,18H,5-9H2,1H3
InChIKeyYSNIABRYZPKJRI-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.11
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-2-piperazin-1-ylpropan-1-ol

2-(2,3-dichlorophenyl)-2-piperazin-1-ylpropan-1-ol (PubChem CID 114079755) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-2-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-2-piperazin-1-ylpropan-1-ol
PubChem CID114079755
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2-(2,3-dichlorophenyl)-2-piperazin-1-ylpropan-1-ol
SMILESCC(CO)(c1cccc(Cl)c1Cl)N1CCNCC1
InChIInChI=1S/C13H18Cl2N2O/c1-13(9-18,17-7-5-16-6-8-17)10-3-2-4-11(14)12(10)15/h2-4,16,18H,5-9H2,1H3
InChIKeyYSNIABRYZPKJRI-UHFFFAOYSA-N
XLogP2.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 61054698
2-(2-chlorophenyl)-2-piperidin-1-ylpropan-1-ol
CID 54776185
2-(2,5-dimethylphenyl)-2-piperazin-1-ylpropan-1-ol
CID 61055498
2-(4-chlorophenyl)-2-(1,4-diazepan-1-yl)propan-1-ol
CID 61049034
(3R)-3-(2,3-dichlorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171190034
3-(2,3-dichlorophenyl)-2-methyl-2-piperazin-1-ylpropanenitrile
CID 84752010
2-piperazin-1-yl-2-pyridin-3-ylpropan-1-ol
CID 61053881
methyl 2-(2-chlorophenyl)-2-piperazin-1-ylpropanoate
CID 54895358
[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-4-fluorocyclohexyl]urea
CID 175603611
(3R)-3-(2-chloro-6-fluorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171175887
2-(1,4-diazepan-1-yl)-2-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 61048628
2-(1,4-diazepan-1-yl)-2-pyridin-4-ylpropan-1-ol
CID 61047834

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-2-piperazin-1-ylpropan-1-ol?
The IUPAC name of 2-(2,3-dichlorophenyl)-2-piperazin-1-ylpropan-1-ol (CID 114079755) is 2-(2,3-dichlorophenyl)-2-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-2-piperazin-1-ylpropan-1-ol?
The canonical SMILES for 2-(2,3-dichlorophenyl)-2-piperazin-1-ylpropan-1-ol is CC(CO)(c1cccc(Cl)c1Cl)N1CCNCC1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-2-piperazin-1-ylpropan-1-ol?
The InChIKey is YSNIABRYZPKJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-13(9-18,17-7-5-16-6-8-17)10-3-2-4-11(14)12(10)15/h2-4,16,18H,5-9H2,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-2-piperazin-1-ylpropan-1-ol?
2-(2,3-dichlorophenyl)-2-piperazin-1-ylpropan-1-ol has a molecular weight of 289.21 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-2-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 114079755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).