1-(3-chloro-5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol

C12H18ClN3O — CID 114679659

IUPAC1-(3-chloro-5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol
SMILESCc1nc(Cl)c(N2CCC(O)C(C)C2)nc1C
InChIInChI=1S/C12H18ClN3O/c1-7-6-16(5-4-10(7)17)12-11(13)14-8(2)9(3)15-12/h7,10,17H,4-6H2,1-3H3
InChIKeyDEUPIOZQOHRDET-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.95
Rot. Bonds1

About 1-(3-chloro-5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol

1-(3-chloro-5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol (PubChem CID 114679659) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-(3-chloro-5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3-chloro-5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol
PubChem CID114679659
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name1-(3-chloro-5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol
SMILESCc1nc(Cl)c(N2CCC(O)C(C)C2)nc1C
InChIInChI=1S/C12H18ClN3O/c1-7-6-16(5-4-10(7)17)12-11(13)14-8(2)9(3)15-12/h7,10,17H,4-6H2,1-3H3
InChIKeyDEUPIOZQOHRDET-UHFFFAOYSA-N
XLogP1.95
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-3-(3,4-dimethylpyrrolidin-1-yl)-5,6-dimethylpyrazine
CID 79181070
2-chloro-5,6-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine
CID 114271950
1-(2-chloro-5-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114679717
1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylpiperidin-4-ol
CID 114679663
1-(5-chloropyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 105370258
1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114684020
1-(3,6-dichloro-1,2,4-triazin-5-yl)-4-methylpiperidin-3-ol
CID 102963145
1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-3-methylpiperidin-4-ol
CID 114677807
2-(4-hydroxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 114678636
1-(3-amino-5-methyl-2-pyridinyl)-3-methylpiperidin-4-ol
CID 114677696
1-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-methylpiperidin-4-ol
CID 114681019
1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114683985

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol?
The IUPAC name of 1-(3-chloro-5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol (CID 114679659) is 1-(3-chloro-5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-(3-chloro-5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol?
The canonical SMILES for 1-(3-chloro-5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol is Cc1nc(Cl)c(N2CCC(O)C(C)C2)nc1C.
What is the InChIKey of 1-(3-chloro-5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol?
The InChIKey is DEUPIOZQOHRDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-7-6-16(5-4-10(7)17)12-11(13)14-8(2)9(3)15-12/h7,10,17H,4-6H2,1-3H3.
What are the key properties of 1-(3-chloro-5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol?
1-(3-chloro-5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol has a molecular weight of 255.75 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 114679659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).