(3R,4R)-1-(5,6-dimethylpyrazin-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol

C17H27N3O2 — CID 72918274

IUPAC(3R,4R)-1-(5,6-dimethylpyrazin-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
SMILESCc1ncc(N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)nc1C
InChIInChI=1S/C17H27N3O2/c1-12-11-20(16-10-18-13(2)14(3)19-16)7-6-17(12,21)15-4-8-22-9-5-15/h10,12,15,21H,4-9,11H2,1-3H3/t12-,17+/m1/s1
InChIKeyZMBWNXDKFWPQAM-PXAZEXFGSA-N
MW305.42 g/mol
LogP2.10
Rot. Bonds2

About (3R,4R)-1-(5,6-dimethylpyrazin-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol

(3R,4R)-1-(5,6-dimethylpyrazin-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol (PubChem CID 72918274) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (3R,4R)-1-(5,6-dimethylpyrazin-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-(5,6-dimethylpyrazin-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
PubChem CID72918274
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(3R,4R)-1-(5,6-dimethylpyrazin-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
SMILESCc1ncc(N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)nc1C
InChIInChI=1S/C17H27N3O2/c1-12-11-20(16-10-18-13(2)14(3)19-16)7-6-17(12,21)15-4-8-22-9-5-15/h10,12,15,21H,4-9,11H2,1-3H3/t12-,17+/m1/s1
InChIKeyZMBWNXDKFWPQAM-PXAZEXFGSA-N
XLogP2.10
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(5,6-dimethylpyrazin-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
The IUPAC name of (3R,4R)-1-(5,6-dimethylpyrazin-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol (CID 72918274) is (3R,4R)-1-(5,6-dimethylpyrazin-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-(5,6-dimethylpyrazin-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
The canonical SMILES for (3R,4R)-1-(5,6-dimethylpyrazin-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol is Cc1ncc(N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)nc1C.
What is the InChIKey of (3R,4R)-1-(5,6-dimethylpyrazin-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
The InChIKey is ZMBWNXDKFWPQAM-PXAZEXFGSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12-11-20(16-10-18-13(2)14(3)19-16)7-6-17(12,21)15-4-8-22-9-5-15/h10,12,15,21H,4-9,11H2,1-3H3/t12-,17+/m1/s1.
What are the key properties of (3R,4R)-1-(5,6-dimethylpyrazin-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
(3R,4R)-1-(5,6-dimethylpyrazin-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol has a molecular weight of 305.42 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(5,6-dimethylpyrazin-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol is sourced from PubChem (CID 72918274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).