[(2S)-1-[(1S)-1-pyrazin-2-ylethyl]piperidin-2-yl]methanol

C12H19N3O — CID 124762062

IUPAC[(2S)-1-[(1S)-1-pyrazin-2-ylethyl]piperidin-2-yl]methanol
SMILESC[C@@H](c1cnccn1)N1CCCC[C@H]1CO
InChIInChI=1S/C12H19N3O/c1-10(12-8-13-5-6-14-12)15-7-3-2-4-11(15)9-16/h5-6,8,10-11,16H,2-4,7,9H2,1H3/t10-,11-/m0/s1
InChIKeyFSSCFFPPZZZSSI-QWRGUYRKSA-N
MW221.30 g/mol
LogP1.38
Rot. Bonds3

About [(2S)-1-[(1S)-1-pyrazin-2-ylethyl]piperidin-2-yl]methanol

[(2S)-1-[(1S)-1-pyrazin-2-ylethyl]piperidin-2-yl]methanol (PubChem CID 124762062) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [(2S)-1-[(1S)-1-pyrazin-2-ylethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[(1S)-1-pyrazin-2-ylethyl]piperidin-2-yl]methanol
PubChem CID124762062
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[(2S)-1-[(1S)-1-pyrazin-2-ylethyl]piperidin-2-yl]methanol
SMILESC[C@@H](c1cnccn1)N1CCCC[C@H]1CO
InChIInChI=1S/C12H19N3O/c1-10(12-8-13-5-6-14-12)15-7-3-2-4-11(15)9-16/h5-6,8,10-11,16H,2-4,7,9H2,1H3/t10-,11-/m0/s1
InChIKeyFSSCFFPPZZZSSI-QWRGUYRKSA-N
XLogP1.38
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-2-yl]methanol
CID 129448824
[(2R)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 139769246
[(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperidin-2-yl]methanamine
CID 97162087
[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
CID 66261742
[6-methyl-4-(1-pyrazin-2-ylethyl)morpholin-2-yl]methanol
CID 136535011
2-[(1S)-1-[(2S)-2-methylpiperazin-1-yl]ethyl]pyrazine
CID 86329920
[(3S)-1-[(1S)-1-pyrazin-2-ylethyl]pyrrolidin-3-yl]methanamine
CID 98085597
(3R)-1-[(1R)-1-pyrazin-2-ylethyl]pyrrolidin-3-amine
CID 97162216
1-[(1R)-1-pyrazin-2-ylethyl]azetidine-3-carboxylic acid
CID 96927169
1-(4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62037342
2-[2-(hydroxymethyl)azepan-1-yl]-1-phenylpropan-1-one
CID 116635361
2-(1-pyrazin-2-ylethylamino)cycloheptan-1-ol
CID 113394642

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(1S)-1-pyrazin-2-ylethyl]piperidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[(1S)-1-pyrazin-2-ylethyl]piperidin-2-yl]methanol (CID 124762062) is [(2S)-1-[(1S)-1-pyrazin-2-ylethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[(1S)-1-pyrazin-2-ylethyl]piperidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[(1S)-1-pyrazin-2-ylethyl]piperidin-2-yl]methanol is C[C@@H](c1cnccn1)N1CCCC[C@H]1CO.
What is the InChIKey of [(2S)-1-[(1S)-1-pyrazin-2-ylethyl]piperidin-2-yl]methanol?
The InChIKey is FSSCFFPPZZZSSI-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10(12-8-13-5-6-14-12)15-7-3-2-4-11(15)9-16/h5-6,8,10-11,16H,2-4,7,9H2,1H3/t10-,11-/m0/s1.
What are the key properties of [(2S)-1-[(1S)-1-pyrazin-2-ylethyl]piperidin-2-yl]methanol?
[(2S)-1-[(1S)-1-pyrazin-2-ylethyl]piperidin-2-yl]methanol has a molecular weight of 221.30 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(1S)-1-pyrazin-2-ylethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 124762062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).