(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol

C10H14FN3O2 — CID 134700702

IUPAC(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
SMILESOC[C@H]1CCN(c2ncc(F)cn2)C[C@@H]1O
InChIInChI=1S/C10H14FN3O2/c11-8-3-12-10(13-4-8)14-2-1-7(6-15)9(16)5-14/h3-4,7,9,15-16H,1-2,5-6H2/t7-,9+/m1/s1
InChIKeyWYAYSCUZWBZSAB-APPZFPTMSA-N
MW227.24 g/mol
LogP-0.20
Rot. Bonds2

About (3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol

(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol (PubChem CID 134700702) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is (3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
PubChem CID134700702
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
SMILESOC[C@H]1CCN(c2ncc(F)cn2)C[C@@H]1O
InChIInChI=1S/C10H14FN3O2/c11-8-3-12-10(13-4-8)14-2-1-7(6-15)9(16)5-14/h3-4,7,9,15-16H,1-2,5-6H2/t7-,9+/m1/s1
InChIKeyWYAYSCUZWBZSAB-APPZFPTMSA-N
XLogP-0.20
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-1-(5-chloropyrimidin-2-yl)-3-(hydroxymethyl)piperidin-4-ol
CID 134706116
[4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]methanol
CID 115750247
2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine
CID 104606673
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802329
1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 103990084
1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol
CID 103826127
(3R,4R)-1-(5-chloropyrimidin-2-yl)-4-[[2-[(3S)-3-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrimidin-5-yl]oxymethyl]piperidin-3-ol
CID 123272562
4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methyl]morpholine
CID 126856400
1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 104606421
fluoro 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
CID 175026112
5-fluoro-2-(3-methoxypiperidin-1-yl)pyrimidine
CID 134532206
(3R,4R)-4-(hydroxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol
CID 155915627

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of (3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol (CID 134700702) is (3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol is OC[C@H]1CCN(c2ncc(F)cn2)C[C@@H]1O.
What is the InChIKey of (3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
The InChIKey is WYAYSCUZWBZSAB-APPZFPTMSA-N. The full InChI is InChI=1S/C10H14FN3O2/c11-8-3-12-10(13-4-8)14-2-1-7(6-15)9(16)5-14/h3-4,7,9,15-16H,1-2,5-6H2/t7-,9+/m1/s1.
What are the key properties of (3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol has a molecular weight of 227.24 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 134700702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).