[4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone

C12H17N3O2 — CID 121200756

IUPAC[4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(CCO)CC1
InChIInChI=1S/C12H17N3O2/c16-8-3-10-1-6-15(7-2-10)12(17)11-9-13-4-5-14-11/h4-5,9-10,16H,1-3,6-8H2
InChIKeyQAZQLJSYOMWNSF-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.71
Rot. Bonds3

About [4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone

[4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 121200756) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID121200756
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name[4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(CCO)CC1
InChIInChI=1S/C12H17N3O2/c16-8-3-10-1-6-15(7-2-10)12(17)11-9-13-4-5-14-11/h4-5,9-10,16H,1-3,6-8H2
InChIKeyQAZQLJSYOMWNSF-UHFFFAOYSA-N
XLogP0.71
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 115746589
[4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 53150710
tert-butyl N-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]carbamate
CID 71632480
(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71644274
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone
CID 95751558
2,2-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 110821253
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 113268934
(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone
CID 110744031
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129492855
[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 70728553
[(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95828473
[4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-pyrazin-2-ylmethanone
CID 110112744

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone (CID 121200756) is [4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC(CCO)CC1.
What is the InChIKey of [4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is QAZQLJSYOMWNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-8-3-10-1-6-15(7-2-10)12(17)11-9-13-4-5-14-11/h4-5,9-10,16H,1-3,6-8H2.
What are the key properties of [4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 235.29 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 121200756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).