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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Related Compounds

(1S)-1-(3-chlorophenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol
CID 92764459
1-(3-chlorophenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 111476797
1-(3-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 3668416
2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol
CID 3044996
1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol
CID 16677156
1-(3-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanol
CID 3703286
1-(3-chlorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol
CID 3809523
1-(3-chlorophenyl)-2-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]ethanol
CID 110019592
2-[4-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 94407142
(1R)-1-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol
CID 39389983
2-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylethanol
CID 3044988
N-(3-chloro-4-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146818

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).