(4R,5S)-5-fluoro-3,3-dimethyl-1-pyrimidin-2-ylpiperidin-4-ol

C11H16FN3O — CID 141406624

IUPAC(4R,5S)-5-fluoro-3,3-dimethyl-1-pyrimidin-2-ylpiperidin-4-ol
SMILESCC1(C)CN(c2ncccn2)C[C@H](F)[C@@H]1O
InChIInChI=1S/C11H16FN3O/c1-11(2)7-15(6-8(12)9(11)16)10-13-4-3-5-14-10/h3-5,8-9,16H,6-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyODNKKPGIBCRJPD-IUCAKERBSA-N
MW225.27 g/mol
LogP1.02
Rot. Bonds1

About (4R,5S)-5-fluoro-3,3-dimethyl-1-pyrimidin-2-ylpiperidin-4-ol

(4R,5S)-5-fluoro-3,3-dimethyl-1-pyrimidin-2-ylpiperidin-4-ol (PubChem CID 141406624) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is (4R,5S)-5-fluoro-3,3-dimethyl-1-pyrimidin-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name(4R,5S)-5-fluoro-3,3-dimethyl-1-pyrimidin-2-ylpiperidin-4-ol
PubChem CID141406624
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name(4R,5S)-5-fluoro-3,3-dimethyl-1-pyrimidin-2-ylpiperidin-4-ol
SMILESCC1(C)CN(c2ncccn2)C[C@H](F)[C@@H]1O
InChIInChI=1S/C11H16FN3O/c1-11(2)7-15(6-8(12)9(11)16)10-13-4-3-5-14-10/h3-5,8-9,16H,6-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyODNKKPGIBCRJPD-IUCAKERBSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R,5S)-5-fluoro-3,3-dimethyl-1-pyrimidin-2-ylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-fluoro-3,3-dimethyl-1-pyrimidin-2-ylpiperidin-4-ol?
The IUPAC name of (4R,5S)-5-fluoro-3,3-dimethyl-1-pyrimidin-2-ylpiperidin-4-ol (CID 141406624) is (4R,5S)-5-fluoro-3,3-dimethyl-1-pyrimidin-2-ylpiperidin-4-ol.
What is the SMILES notation for (4R,5S)-5-fluoro-3,3-dimethyl-1-pyrimidin-2-ylpiperidin-4-ol?
The canonical SMILES for (4R,5S)-5-fluoro-3,3-dimethyl-1-pyrimidin-2-ylpiperidin-4-ol is CC1(C)CN(c2ncccn2)C[C@H](F)[C@@H]1O.
What is the InChIKey of (4R,5S)-5-fluoro-3,3-dimethyl-1-pyrimidin-2-ylpiperidin-4-ol?
The InChIKey is ODNKKPGIBCRJPD-IUCAKERBSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-11(2)7-15(6-8(12)9(11)16)10-13-4-3-5-14-10/h3-5,8-9,16H,6-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (4R,5S)-5-fluoro-3,3-dimethyl-1-pyrimidin-2-ylpiperidin-4-ol?
(4R,5S)-5-fluoro-3,3-dimethyl-1-pyrimidin-2-ylpiperidin-4-ol has a molecular weight of 225.27 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-fluoro-3,3-dimethyl-1-pyrimidin-2-ylpiperidin-4-ol is sourced from PubChem (CID 141406624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).