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

C11H16FN3O — CID 103896207

IUPAC1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol
SMILESCc1ncnc(N2CCC(C)C(O)C2)c1F
InChIInChI=1S/C11H16FN3O/c1-7-3-4-15(5-9(7)16)11-10(12)8(2)13-6-14-11/h6-7,9,16H,3-5H2,1-2H3
InChIKeyVWLAKZOOFJULNJ-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.13
Rot. Bonds1

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

1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol (PubChem CID 103896207) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol
PubChem CID103896207
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol
SMILESCc1ncnc(N2CCC(C)C(O)C2)c1F
InChIInChI=1S/C11H16FN3O/c1-7-3-4-15(5-9(7)16)11-10(12)8(2)13-6-14-11/h6-7,9,16H,3-5H2,1-2H3
InChIKeyVWLAKZOOFJULNJ-UHFFFAOYSA-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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Related Compounds

(3R*,4R*)-1-[5,6-dimethyl-2-(trifluoromethyl)-4-pyrimidinyl]-4-(hydroxymethyl)-3-piperidinol
CID 56895739
[1-[4-(Dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 60504432
5-fluoro-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-6-methylpyrimidine
CID 164637901
Ethyl 1-(5-fluoro-6-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 103634678
(3S,4S)-1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 118056446
4-(5-Fluoro-6-methylpyrimidin-4-yl)morpholine
CID 126972140
(3S*,4R*)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidine-3,4-diol
CID 72838621
(3S*,4S*)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidine-3,4-diol
CID 72845575
2-[4-(6-Ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propan-1-ol
CID 75437962
(2S)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propan-1-ol
CID 97331717
(2R)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propan-1-ol
CID 97331718
2-[Cyclobutyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]ethanol
CID 102675218

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol?
The IUPAC name of 1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol (CID 103896207) is 1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol is Cc1ncnc(N2CCC(C)C(O)C2)c1F.
What is the InChIKey of 1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol?
The InChIKey is VWLAKZOOFJULNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-7-3-4-15(5-9(7)16)11-10(12)8(2)13-6-14-11/h6-7,9,16H,3-5H2,1-2H3.
What are the key properties of 1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol?
1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylpiperidin-3-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 1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol is sourced from PubChem (CID 103896207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).