(3S,4S)-1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol

C11H16FN3O — CID 118056446

IUPAC(3S,4S)-1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol
SMILESCc1ncnc(N2CC[C@H](O)[C@@H](C)C2)c1F
InChIInChI=1S/C11H16FN3O/c1-7-5-15(4-3-9(7)16)11-10(12)8(2)13-6-14-11/h6-7,9,16H,3-5H2,1-2H3/t7-,9-/m0/s1
InChIKeyHWSCGYXTNBYVOQ-CBAPKCEASA-N
MW225.27 g/mol
LogP1.13
Rot. Bonds1

About (3S,4S)-1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol

(3S,4S)-1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol (PubChem CID 118056446) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is (3S,4S)-1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol
PubChem CID118056446
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name(3S,4S)-1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol
SMILESCc1ncnc(N2CC[C@H](O)[C@@H](C)C2)c1F
InChIInChI=1S/C11H16FN3O/c1-7-5-15(4-3-9(7)16)11-10(12)8(2)13-6-14-11/h6-7,9,16H,3-5H2,1-2H3/t7-,9-/m0/s1
InChIKeyHWSCGYXTNBYVOQ-CBAPKCEASA-N
XLogP1.13
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol?
The IUPAC name of (3S,4S)-1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol (CID 118056446) is (3S,4S)-1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol.
What is the SMILES notation for (3S,4S)-1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol?
The canonical SMILES for (3S,4S)-1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol is Cc1ncnc(N2CC[C@H](O)[C@@H](C)C2)c1F.
What is the InChIKey of (3S,4S)-1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol?
The InChIKey is HWSCGYXTNBYVOQ-CBAPKCEASA-N. The full InChI is InChI=1S/C11H16FN3O/c1-7-5-15(4-3-9(7)16)11-10(12)8(2)13-6-14-11/h6-7,9,16H,3-5H2,1-2H3/t7-,9-/m0/s1.
What are the key properties of (3S,4S)-1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol?
(3S,4S)-1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol has a molecular weight of 225.27 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 118056446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).