2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethanol

C12H16Cl2N2O — CID 19871273

IUPAC2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C12H16Cl2N2O/c13-10-2-1-3-11(12(10)14)16-6-4-15(5-7-16)8-9-17/h1-3,17H,4-9H2
InChIKeyHMSZCGYHVDSIIK-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.11
Rot. Bonds3

About 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethanol

2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethanol (PubChem CID 19871273) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethanol
PubChem CID19871273
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C12H16Cl2N2O/c13-10-2-1-3-11(12(10)14)16-6-4-15(5-7-16)8-9-17/h1-3,17H,4-9H2
InChIKeyHMSZCGYHVDSIIK-UHFFFAOYSA-N
XLogP2.11
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethanol (CID 19871273) is 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethanol is OCCN1CCN(c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethanol?
The InChIKey is HMSZCGYHVDSIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c13-10-2-1-3-11(12(10)14)16-6-4-15(5-7-16)8-9-17/h1-3,17H,4-9H2.
What are the key properties of 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethanol?
2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethanol has a molecular weight of 275.18 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 19871273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).