1-[4-(6-chloropyrazin-2-yl)-4-hydroxypiperidin-1-yl]butan-1-one

C13H18ClN3O2 — CID 158037384

IUPAC1-[4-(6-chloropyrazin-2-yl)-4-hydroxypiperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(O)(c2cncc(Cl)n2)CC1
InChIInChI=1S/C13H18ClN3O2/c1-2-3-12(18)17-6-4-13(19,5-7-17)10-8-15-9-11(14)16-10/h8-9,19H,2-7H2,1H3
InChIKeyFHXPHAOBQQAKOA-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.74
Rot. Bonds3

About 1-[4-(6-chloropyrazin-2-yl)-4-hydroxypiperidin-1-yl]butan-1-one

1-[4-(6-chloropyrazin-2-yl)-4-hydroxypiperidin-1-yl]butan-1-one (PubChem CID 158037384) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 1-[4-(6-chloropyrazin-2-yl)-4-hydroxypiperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(6-chloropyrazin-2-yl)-4-hydroxypiperidin-1-yl]butan-1-one
PubChem CID158037384
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name1-[4-(6-chloropyrazin-2-yl)-4-hydroxypiperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(O)(c2cncc(Cl)n2)CC1
InChIInChI=1S/C13H18ClN3O2/c1-2-3-12(18)17-6-4-13(19,5-7-17)10-8-15-9-11(14)16-10/h8-9,19H,2-7H2,1H3
InChIKeyFHXPHAOBQQAKOA-UHFFFAOYSA-N
XLogP1.74
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-chloro-3-pyridinyl)-4-fluoropiperidin-1-yl]butan-1-one
CID 158477612
1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]butan-1-one
CID 123381953
1-(4-amino-4-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 130718845
(6-chloropyrazin-2-yl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 106551507
1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 56748421
1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
2-amino-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 56747551
ethane;1-pyrrolidin-1-ylbutan-1-one
CID 142223486
1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 84550235
6-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
CID 103187315
3-(2-ethylimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 56744644
8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109419

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloropyrazin-2-yl)-4-hydroxypiperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(6-chloropyrazin-2-yl)-4-hydroxypiperidin-1-yl]butan-1-one (CID 158037384) is 1-[4-(6-chloropyrazin-2-yl)-4-hydroxypiperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(6-chloropyrazin-2-yl)-4-hydroxypiperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(6-chloropyrazin-2-yl)-4-hydroxypiperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(O)(c2cncc(Cl)n2)CC1.
What is the InChIKey of 1-[4-(6-chloropyrazin-2-yl)-4-hydroxypiperidin-1-yl]butan-1-one?
The InChIKey is FHXPHAOBQQAKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-2-3-12(18)17-6-4-13(19,5-7-17)10-8-15-9-11(14)16-10/h8-9,19H,2-7H2,1H3.
What are the key properties of 1-[4-(6-chloropyrazin-2-yl)-4-hydroxypiperidin-1-yl]butan-1-one?
1-[4-(6-chloropyrazin-2-yl)-4-hydroxypiperidin-1-yl]butan-1-one has a molecular weight of 283.76 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloropyrazin-2-yl)-4-hydroxypiperidin-1-yl]butan-1-one is sourced from PubChem (CID 158037384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).