[(2S,4S)-4-fluoro-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol

C14H21FN4O — CID 128979595

IUPAC[(2S,4S)-4-fluoro-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@H](F)CN1c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C14H21FN4O/c15-11-6-12(9-20)19(8-11)14-7-13(16-10-17-14)18-4-2-1-3-5-18/h7,10-12,20H,1-6,8-9H2/t11-,12-/m0/s1
InChIKeyDMMPMRPIRKHUAS-RYUDHWBXSA-N
MW280.35 g/mol
LogP1.38
Rot. Bonds3

About [(2S,4S)-4-fluoro-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol

[(2S,4S)-4-fluoro-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 128979595) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID128979595
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name[(2S,4S)-4-fluoro-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@H](F)CN1c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C14H21FN4O/c15-11-6-12(9-20)19(8-11)14-7-13(16-10-17-14)18-4-2-1-3-5-18/h7,10-12,20H,1-6,8-9H2/t11-,12-/m0/s1
InChIKeyDMMPMRPIRKHUAS-RYUDHWBXSA-N
XLogP1.38
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(Pyrimidin-4-yl)piperidin-2-yl]methanol
CID 61254152
[1-[6-(4-Cyclopentyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144564
[1-[6-[4-[2-(Dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144597
4-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 72144614
2-(Dimethylamino)-1-[4-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 72144617
[1-[6-(4-Methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144657
2-[4-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-N,N-dimethylacetamide
CID 72144667
4-[6-(3,3-Difluoropyrrolidin-1-yl)pyrimidin-4-yl]morpholine
CID 155534387
(3R,5R)-5-((dimethylamino)methyl)-1-(6-fluoropyrimidin-4-yl)pyrrolidin-3-ol
CID 165738809
(1-(4-Aminopyrimidin-2-yl)pyrrolidin-2-yl)methanol
CID 115978244
[1-[6-(1-Morpholin-4-ylpropan-2-ylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144609
1-[Methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
CID 86818325

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-fluoro-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol (CID 128979595) is [(2S,4S)-4-fluoro-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-fluoro-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol is OC[C@@H]1C[C@H](F)CN1c1cc(N2CCCCC2)ncn1.
What is the InChIKey of [(2S,4S)-4-fluoro-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is DMMPMRPIRKHUAS-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H21FN4O/c15-11-6-12(9-20)19(8-11)14-7-13(16-10-17-14)18-4-2-1-3-5-18/h7,10-12,20H,1-6,8-9H2/t11-,12-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
[(2S,4S)-4-fluoro-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 280.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 128979595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).