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

C16H25N3O2 — CID 72920271

IUPAC(3R,4R)-3-methyl-1-(3-methylpyrazin-2-yl)-4-(oxan-4-yl)piperidin-4-ol
SMILESCc1nccnc1N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1
InChIInChI=1S/C16H25N3O2/c1-12-11-19(15-13(2)17-6-7-18-15)8-5-16(12,20)14-3-9-21-10-4-14/h6-7,12,14,20H,3-5,8-11H2,1-2H3/t12-,16+/m1/s1
InChIKeyOQNXKFPUCQJBFS-WBMJQRKESA-N
MW291.39 g/mol
LogP1.79
Rot. Bonds2

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

(3R,4R)-3-methyl-1-(3-methylpyrazin-2-yl)-4-(oxan-4-yl)piperidin-4-ol (PubChem CID 72920271) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (3R,4R)-3-methyl-1-(3-methylpyrazin-2-yl)-4-(oxan-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-methyl-1-(3-methylpyrazin-2-yl)-4-(oxan-4-yl)piperidin-4-ol
PubChem CID72920271
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(3R,4R)-3-methyl-1-(3-methylpyrazin-2-yl)-4-(oxan-4-yl)piperidin-4-ol
SMILESCc1nccnc1N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1
InChIInChI=1S/C16H25N3O2/c1-12-11-19(15-13(2)17-6-7-18-15)8-5-16(12,20)14-3-9-21-10-4-14/h6-7,12,14,20H,3-5,8-11H2,1-2H3/t12-,16+/m1/s1
InChIKeyOQNXKFPUCQJBFS-WBMJQRKESA-N
XLogP1.79
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methyl-1-(3-methylpyrazin-2-yl)-4-(oxan-4-yl)piperidin-4-ol?
The IUPAC name of (3R,4R)-3-methyl-1-(3-methylpyrazin-2-yl)-4-(oxan-4-yl)piperidin-4-ol (CID 72920271) is (3R,4R)-3-methyl-1-(3-methylpyrazin-2-yl)-4-(oxan-4-yl)piperidin-4-ol.
What is the SMILES notation for (3R,4R)-3-methyl-1-(3-methylpyrazin-2-yl)-4-(oxan-4-yl)piperidin-4-ol?
The canonical SMILES for (3R,4R)-3-methyl-1-(3-methylpyrazin-2-yl)-4-(oxan-4-yl)piperidin-4-ol is Cc1nccnc1N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1.
What is the InChIKey of (3R,4R)-3-methyl-1-(3-methylpyrazin-2-yl)-4-(oxan-4-yl)piperidin-4-ol?
The InChIKey is OQNXKFPUCQJBFS-WBMJQRKESA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-11-19(15-13(2)17-6-7-18-15)8-5-16(12,20)14-3-9-21-10-4-14/h6-7,12,14,20H,3-5,8-11H2,1-2H3/t12-,16+/m1/s1.
What are the key properties of (3R,4R)-3-methyl-1-(3-methylpyrazin-2-yl)-4-(oxan-4-yl)piperidin-4-ol?
(3R,4R)-3-methyl-1-(3-methylpyrazin-2-yl)-4-(oxan-4-yl)piperidin-4-ol has a molecular weight of 291.39 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methyl-1-(3-methylpyrazin-2-yl)-4-(oxan-4-yl)piperidin-4-ol is sourced from PubChem (CID 72920271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).