(3R,4R)-1-(5-ethyl-2-methylpyrimidin-4-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol

C18H29N3O2 — CID 72840607

IUPAC(3R,4R)-1-(5-ethyl-2-methylpyrimidin-4-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
SMILESCCc1cnc(C)nc1N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1
InChIInChI=1S/C18H29N3O2/c1-4-15-11-19-14(3)20-17(15)21-8-7-18(22,13(2)12-21)16-5-9-23-10-6-16/h11,13,16,22H,4-10,12H2,1-3H3/t13-,18+/m1/s1
InChIKeyGLNDNAKWJWCPFE-ACJLOTCBSA-N
MW319.45 g/mol
LogP2.35
Rot. Bonds3

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

(3R,4R)-1-(5-ethyl-2-methylpyrimidin-4-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol (PubChem CID 72840607) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (3R,4R)-1-(5-ethyl-2-methylpyrimidin-4-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-(5-ethyl-2-methylpyrimidin-4-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
PubChem CID72840607
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name(3R,4R)-1-(5-ethyl-2-methylpyrimidin-4-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
SMILESCCc1cnc(C)nc1N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1
InChIInChI=1S/C18H29N3O2/c1-4-15-11-19-14(3)20-17(15)21-8-7-18(22,13(2)12-21)16-5-9-23-10-6-16/h11,13,16,22H,4-10,12H2,1-3H3/t13-,18+/m1/s1
InChIKeyGLNDNAKWJWCPFE-ACJLOTCBSA-N
XLogP2.35
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.35
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-ethyl-2-methylpyrimidin-4-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
The IUPAC name of (3R,4R)-1-(5-ethyl-2-methylpyrimidin-4-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol (CID 72840607) is (3R,4R)-1-(5-ethyl-2-methylpyrimidin-4-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-(5-ethyl-2-methylpyrimidin-4-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
The canonical SMILES for (3R,4R)-1-(5-ethyl-2-methylpyrimidin-4-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol is CCc1cnc(C)nc1N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1.
What is the InChIKey of (3R,4R)-1-(5-ethyl-2-methylpyrimidin-4-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
The InChIKey is GLNDNAKWJWCPFE-ACJLOTCBSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-15-11-19-14(3)20-17(15)21-8-7-18(22,13(2)12-21)16-5-9-23-10-6-16/h11,13,16,22H,4-10,12H2,1-3H3/t13-,18+/m1/s1.
What are the key properties of (3R,4R)-1-(5-ethyl-2-methylpyrimidin-4-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
(3R,4R)-1-(5-ethyl-2-methylpyrimidin-4-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol has a molecular weight of 319.45 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(5-ethyl-2-methylpyrimidin-4-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol is sourced from PubChem (CID 72840607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).