(3S,4R)-3-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)piperidin-4-ol

C13H21N3O — CID 56759042

IUPAC(3S,4R)-3-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)piperidin-4-ol
SMILESCC[C@H]1CN(c2nccnc2C)CC[C@@]1(C)O
InChIInChI=1S/C13H21N3O/c1-4-11-9-16(8-5-13(11,3)17)12-10(2)14-6-7-15-12/h6-7,11,17H,4-5,8-9H2,1-3H3/t11-,13+/m0/s1
InChIKeyNEVLEAQNGQVGKQ-WCQYABFASA-N
MW235.33 g/mol
LogP1.77
Rot. Bonds2

About (3S,4R)-3-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)piperidin-4-ol

(3S,4R)-3-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)piperidin-4-ol (PubChem CID 56759042) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (3S,4R)-3-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)piperidin-4-ol
PubChem CID56759042
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(3S,4R)-3-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)piperidin-4-ol
SMILESCC[C@H]1CN(c2nccnc2C)CC[C@@]1(C)O
InChIInChI=1S/C13H21N3O/c1-4-11-9-16(8-5-13(11,3)17)12-10(2)14-6-7-15-12/h6-7,11,17H,4-5,8-9H2,1-3H3/t11-,13+/m0/s1
InChIKeyNEVLEAQNGQVGKQ-WCQYABFASA-N
XLogP1.77
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Methylpyrazin-2-yl)piperidin-4-ol
CID 66868496
(3R)-3,4,4-trimethyl-1-(3-methyl-2-pyrazinyl)-3-pyrrolidinol
CID 72858981
(1S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethanol
CID 99855106
2-(3-Fluoro-5-propan-2-ylpiperidin-1-yl)-5-methylpyrazine
CID 167364043
4-[6-(4,4-Difluoropiperidin-1-yl)-5-methylpyrazin-2-yl]-2-methylbut-3-yn-2-ol
CID 169266389
2-(4-Propan-2-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine
CID 174276806
1-[1-(3,6-Dimethylpyrazin-2-YL)piperidin-4-YL]-2,2,2-trifluoroethanol
CID 91648251
(1R)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethanol
CID 99855105
2-[4-(Fluoromethyl)piperidin-1-yl]-3-methylpyrazine
CID 126793816
8-(3,6-Dimethyl-2-pyrazinyl)-1-oxa-8-azaspiro[4.5]decane
CID 56870835
(3R*,4R*)-1-(5,6-dimethyl-2-pyrazinyl)-3-isopropyl-4-methyl-3-pyrrolidinol
CID 72933123
1-[2-[(3-Methyl-2-pyrazinyl)amino]-ethyl]4-piperidinemethanol
CID 10933938

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)piperidin-4-ol?
The IUPAC name of (3S,4R)-3-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)piperidin-4-ol (CID 56759042) is (3S,4R)-3-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)piperidin-4-ol.
What is the SMILES notation for (3S,4R)-3-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)piperidin-4-ol?
The canonical SMILES for (3S,4R)-3-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)piperidin-4-ol is CC[C@H]1CN(c2nccnc2C)CC[C@@]1(C)O.
What is the InChIKey of (3S,4R)-3-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)piperidin-4-ol?
The InChIKey is NEVLEAQNGQVGKQ-WCQYABFASA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-11-9-16(8-5-13(11,3)17)12-10(2)14-6-7-15-12/h6-7,11,17H,4-5,8-9H2,1-3H3/t11-,13+/m0/s1.
What are the key properties of (3S,4R)-3-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)piperidin-4-ol?
(3S,4R)-3-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)piperidin-4-ol has a molecular weight of 235.33 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-ethyl-4-methyl-1-(3-methylpyrazin-2-yl)piperidin-4-ol is sourced from PubChem (CID 56759042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).