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

C16H25N3O — CID 72854174

IUPAC(3R,4R)-4-cyclobutyl-1-(5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol
SMILESCc1ncc(N2CC[C@@](O)(C3CCC3)[C@H](C)C2)nc1C
InChIInChI=1S/C16H25N3O/c1-11-10-19(15-9-17-12(2)13(3)18-15)8-7-16(11,20)14-5-4-6-14/h9,11,14,20H,4-8,10H2,1-3H3/t11-,16+/m1/s1
InChIKeyFFILACVCFPXZRO-BZNIZROVSA-N
MW275.40 g/mol
LogP2.47
Rot. Bonds2

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

(3R,4R)-4-cyclobutyl-1-(5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol (PubChem CID 72854174) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (3R,4R)-4-cyclobutyl-1-(5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-4-cyclobutyl-1-(5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol
PubChem CID72854174
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(3R,4R)-4-cyclobutyl-1-(5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol
SMILESCc1ncc(N2CC[C@@](O)(C3CCC3)[C@H](C)C2)nc1C
InChIInChI=1S/C16H25N3O/c1-11-10-19(15-9-17-12(2)13(3)18-15)8-7-16(11,20)14-5-4-6-14/h9,11,14,20H,4-8,10H2,1-3H3/t11-,16+/m1/s1
InChIKeyFFILACVCFPXZRO-BZNIZROVSA-N
XLogP2.47
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclobutyl-1-(5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol?
The IUPAC name of (3R,4R)-4-cyclobutyl-1-(5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol (CID 72854174) is (3R,4R)-4-cyclobutyl-1-(5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-4-cyclobutyl-1-(5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-4-cyclobutyl-1-(5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol is Cc1ncc(N2CC[C@@](O)(C3CCC3)[C@H](C)C2)nc1C.
What is the InChIKey of (3R,4R)-4-cyclobutyl-1-(5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol?
The InChIKey is FFILACVCFPXZRO-BZNIZROVSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-10-19(15-9-17-12(2)13(3)18-15)8-7-16(11,20)14-5-4-6-14/h9,11,14,20H,4-8,10H2,1-3H3/t11-,16+/m1/s1.
What are the key properties of (3R,4R)-4-cyclobutyl-1-(5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol?
(3R,4R)-4-cyclobutyl-1-(5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol has a molecular weight of 275.40 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyclobutyl-1-(5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 72854174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).