(4S)-1-(5,6-dimethylpyrazin-2-yl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol

C15H25N3O2 — CID 72861737

IUPAC(4S)-1-(5,6-dimethylpyrazin-2-yl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
SMILESCOC[C@]1(O)CCN(c2cnc(C)c(C)n2)CC1(C)C
InChIInChI=1S/C15H25N3O2/c1-11-12(2)17-13(8-16-11)18-7-6-15(19,10-20-5)14(3,4)9-18/h8,19H,6-7,9-10H2,1-5H3/t15-/m1/s1
InChIKeyCAYAYVLPGLFUIY-OAHLLOKOSA-N
MW279.38 g/mol
LogP1.71
Rot. Bonds3

About (4S)-1-(5,6-dimethylpyrazin-2-yl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol

(4S)-1-(5,6-dimethylpyrazin-2-yl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol (PubChem CID 72861737) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (4S)-1-(5,6-dimethylpyrazin-2-yl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name(4S)-1-(5,6-dimethylpyrazin-2-yl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
PubChem CID72861737
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(4S)-1-(5,6-dimethylpyrazin-2-yl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
SMILESCOC[C@]1(O)CCN(c2cnc(C)c(C)n2)CC1(C)C
InChIInChI=1S/C15H25N3O2/c1-11-12(2)17-13(8-16-11)18-7-6-15(19,10-20-5)14(3,4)9-18/h8,19H,6-7,9-10H2,1-5H3/t15-/m1/s1
InChIKeyCAYAYVLPGLFUIY-OAHLLOKOSA-N
XLogP1.71
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-1-(5,6-dimethylpyrazin-2-yl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(5,6-dimethylpyrazin-2-yl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol?
The IUPAC name of (4S)-1-(5,6-dimethylpyrazin-2-yl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol (CID 72861737) is (4S)-1-(5,6-dimethylpyrazin-2-yl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol.
What is the SMILES notation for (4S)-1-(5,6-dimethylpyrazin-2-yl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol?
The canonical SMILES for (4S)-1-(5,6-dimethylpyrazin-2-yl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol is COC[C@]1(O)CCN(c2cnc(C)c(C)n2)CC1(C)C.
What is the InChIKey of (4S)-1-(5,6-dimethylpyrazin-2-yl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol?
The InChIKey is CAYAYVLPGLFUIY-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11-12(2)17-13(8-16-11)18-7-6-15(19,10-20-5)14(3,4)9-18/h8,19H,6-7,9-10H2,1-5H3/t15-/m1/s1.
What are the key properties of (4S)-1-(5,6-dimethylpyrazin-2-yl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol?
(4S)-1-(5,6-dimethylpyrazin-2-yl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol has a molecular weight of 279.38 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(5,6-dimethylpyrazin-2-yl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol is sourced from PubChem (CID 72861737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).