1-(3-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol

C16H19ClN4O — CID 5183030

IUPAC1-(3-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol
SMILESOC(CN1CCN(c2cnccn2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C16H19ClN4O/c17-14-3-1-2-13(10-14)15(22)12-20-6-8-21(9-7-20)16-11-18-4-5-19-16/h1-5,10-11,15,22H,6-9,12H2
InChIKeyNQCMLYUKMOGXNE-UHFFFAOYSA-N
MW318.81 g/mol
LogP1.99
Rot. Bonds4

About 1-(3-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol

1-(3-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol (PubChem CID 5183030) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol
PubChem CID5183030
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name1-(3-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol
SMILESOC(CN1CCN(c2cnccn2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C16H19ClN4O/c17-14-3-1-2-13(10-14)15(22)12-20-6-8-21(9-7-20)16-11-18-4-5-19-16/h1-5,10-11,15,22H,6-9,12H2
InChIKeyNQCMLYUKMOGXNE-UHFFFAOYSA-N
XLogP1.99
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol (CID 5183030) is 1-(3-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol is OC(CN1CCN(c2cnccn2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol?
The InChIKey is NQCMLYUKMOGXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c17-14-3-1-2-13(10-14)15(22)12-20-6-8-21(9-7-20)16-11-18-4-5-19-16/h1-5,10-11,15,22H,6-9,12H2.
What are the key properties of 1-(3-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol?
1-(3-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol has a molecular weight of 318.81 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol is sourced from PubChem (CID 5183030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).