1-benzyl-3-pyrazin-2-ylpiperidin-3-ol

C16H19N3O — CID 82013047

IUPAC1-benzyl-3-pyrazin-2-ylpiperidin-3-ol
SMILESOC1(c2cnccn2)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H19N3O/c20-16(15-11-17-8-9-18-15)7-4-10-19(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,20H,4,7,10,12-13H2
InChIKeyJXAPWTCPAPCEBO-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.96
Rot. Bonds3

About 1-benzyl-3-pyrazin-2-ylpiperidin-3-ol

1-benzyl-3-pyrazin-2-ylpiperidin-3-ol (PubChem CID 82013047) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-benzyl-3-pyrazin-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name1-benzyl-3-pyrazin-2-ylpiperidin-3-ol
PubChem CID82013047
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-benzyl-3-pyrazin-2-ylpiperidin-3-ol
SMILESOC1(c2cnccn2)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H19N3O/c20-16(15-11-17-8-9-18-15)7-4-10-19(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,20H,4,7,10,12-13H2
InChIKeyJXAPWTCPAPCEBO-UHFFFAOYSA-N
XLogP1.96
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-(1,2-thiazol-3-yl)piperidin-3-ol
CID 131084399
1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol
CID 104735832
1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride
CID 139758416
1-ethyl-3-pyrazin-2-ylpyrrolidin-3-ol
CID 126985868
(6R)-2-benzyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494806
1-benzyl-3-(5-propoxy-3-pyridinyl)piperidin-3-ol
CID 113341056
1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
CID 114637897
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-benzyl-3-pyridin-2-ylpiperidin-3-amine
CID 83693801
(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol
CID 92976626
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride
CID 19095553

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-pyrazin-2-ylpiperidin-3-ol?
The IUPAC name of 1-benzyl-3-pyrazin-2-ylpiperidin-3-ol (CID 82013047) is 1-benzyl-3-pyrazin-2-ylpiperidin-3-ol.
What is the SMILES notation for 1-benzyl-3-pyrazin-2-ylpiperidin-3-ol?
The canonical SMILES for 1-benzyl-3-pyrazin-2-ylpiperidin-3-ol is OC1(c2cnccn2)CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-pyrazin-2-ylpiperidin-3-ol?
The InChIKey is JXAPWTCPAPCEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(15-11-17-8-9-18-15)7-4-10-19(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,20H,4,7,10,12-13H2.
What are the key properties of 1-benzyl-3-pyrazin-2-ylpiperidin-3-ol?
1-benzyl-3-pyrazin-2-ylpiperidin-3-ol has a molecular weight of 269.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-pyrazin-2-ylpiperidin-3-ol is sourced from PubChem (CID 82013047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).