2-[(3S)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanol

C17H20ClN3O — CID 95819525

IUPAC2-[(3S)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanol
SMILESOCCN1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1
InChIInChI=1S/C17H20ClN3O/c18-15-5-1-3-13(9-15)16-10-19-11-17(20-16)14-4-2-6-21(12-14)7-8-22/h1,3,5,9-11,14,22H,2,4,6-8,12H2/t14-/m0/s1
InChIKeyAENDGNZKYDMGKB-AWEZNQCLSA-N
MW317.82 g/mol
LogP2.97
Rot. Bonds4

About 2-[(3S)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanol

2-[(3S)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanol (PubChem CID 95819525) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-[(3S)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(3S)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanol
PubChem CID95819525
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name2-[(3S)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanol
SMILESOCCN1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1
InChIInChI=1S/C17H20ClN3O/c18-15-5-1-3-13(9-15)16-10-19-11-17(20-16)14-4-2-6-21(12-14)7-8-22/h1,3,5,9-11,14,22H,2,4,6-8,12H2/t14-/m0/s1
InChIKeyAENDGNZKYDMGKB-AWEZNQCLSA-N
XLogP2.97
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 110255391
1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 110255373
1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95819827
1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110255306
1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95819705
[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110255383
2-[(3R)-3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]ethanol
CID 124989098
2-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanol
CID 110256162
[4-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 110149953
2-hydroxy-1-[3-[6-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 155899913
1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110255376
2-hydroxy-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819992

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[(3S)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanol (CID 95819525) is 2-[(3S)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[(3S)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[(3S)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanol is OCCN1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1.
What is the InChIKey of 2-[(3S)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanol?
The InChIKey is AENDGNZKYDMGKB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20ClN3O/c18-15-5-1-3-13(9-15)16-10-19-11-17(20-16)14-4-2-6-21(12-14)7-8-22/h1,3,5,9-11,14,22H,2,4,6-8,12H2/t14-/m0/s1.
What are the key properties of 2-[(3S)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanol?
2-[(3S)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanol has a molecular weight of 317.82 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 95819525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).