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

C10H14FN3O — CID 107269396

IUPAC(3S)-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-3-ol
SMILESCc1ncnc(N2CCC[C@H](O)C2)c1F
InChIInChI=1S/C10H14FN3O/c1-7-9(11)10(13-6-12-7)14-4-2-3-8(15)5-14/h6,8,15H,2-5H2,1H3/t8-/m0/s1
InChIKeyFZCKXHGGKDLTDT-QMMMGPOBSA-N
MW211.24 g/mol
LogP0.89
Rot. Bonds1

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

(3S)-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-3-ol (PubChem CID 107269396) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is (3S)-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-3-ol
PubChem CID107269396
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name(3S)-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-3-ol
SMILESCc1ncnc(N2CCC[C@H](O)C2)c1F
InChIInChI=1S/C10H14FN3O/c1-7-9(11)10(13-6-12-7)14-4-2-3-8(15)5-14/h6,8,15H,2-5H2,1H3/t8-/m0/s1
InChIKeyFZCKXHGGKDLTDT-QMMMGPOBSA-N
XLogP0.89
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-3-ol?
The IUPAC name of (3S)-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-3-ol (CID 107269396) is (3S)-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-3-ol?
The canonical SMILES for (3S)-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-3-ol is Cc1ncnc(N2CCC[C@H](O)C2)c1F.
What is the InChIKey of (3S)-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-3-ol?
The InChIKey is FZCKXHGGKDLTDT-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-7-9(11)10(13-6-12-7)14-4-2-3-8(15)5-14/h6,8,15H,2-5H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-3-ol?
(3S)-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-3-ol has a molecular weight of 211.24 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-3-ol is sourced from PubChem (CID 107269396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).