(3S,4R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol

C11H16FN3O3 — CID 164697462

IUPAC(3S,4R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
SMILESCOc1nc(N2CC[C@H](CO)[C@H](O)C2)ncc1F
InChIInChI=1S/C11H16FN3O3/c1-18-10-8(12)4-13-11(14-10)15-3-2-7(6-16)9(17)5-15/h4,7,9,16-17H,2-3,5-6H2,1H3/t7-,9-/m1/s1
InChIKeyRBJCAGNYTUCKMF-VXNVDRBHSA-N
MW257.26 g/mol
LogP-0.20
Rot. Bonds3

About (3S,4R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol

(3S,4R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol (PubChem CID 164697462) has the molecular formula C11H16FN3O3 and a molecular weight of 257.26 g/mol. Its IUPAC name is (3S,4R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
PubChem CID164697462
Molecular FormulaC11H16FN3O3
Molecular Weight257.26 g/mol
Exact Mass257.12
IUPAC Name(3S,4R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
SMILESCOc1nc(N2CC[C@H](CO)[C@H](O)C2)ncc1F
InChIInChI=1S/C11H16FN3O3/c1-18-10-8(12)4-13-11(14-10)15-3-2-7(6-16)9(17)5-15/h4,7,9,16-17H,2-3,5-6H2,1H3/t7-,9-/m1/s1
InChIKeyRBJCAGNYTUCKMF-VXNVDRBHSA-N
XLogP-0.20
TPSA78.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[(4-Methoxypyrimidin-2-yl)-methylamino]methyl]piperidin-1-yl]ethanol
CID 56778037
[1-(5-Fluoro-4-methoxy-2-pyrimidinyl)-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72896260
4-Methoxy-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidine
CID 126835232
(2S)-4-(5-fluoro-4-methoxypyrimidin-2-yl)-2-(2-methoxyethyl)morpholine
CID 129610917
2-[(2S)-1-(cyclopropylmethyl)-4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-2-yl]ethanol
CID 129619767
5-fluoro-N-[(1-isobutylpiperidin-4-yl)methyl]-4-methoxypyrimidin-2-amine
CID 129619994
(1-{[(5-Fluoro-4-methoxypyrimidin-2-YL)(methyl)amino]methyl}cyclobutyl)methanol
CID 129620330
(3S,4S)-4-ethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3,4-diol
CID 164639878
Methyl 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylate
CID 162376324
1-(5-Fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylic acid
CID 162376598
5-Fluoro-4-methoxy-2-piperidin-1-ylpyrimidine
CID 169090115
(3R*,4R*)-3-cyclopropyl-1-(5-fluoro-4-methoxy-2-pyrimidinyl)-4-methyl-3-pyrrolidinol
CID 72872622

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of (3S,4R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol (CID 164697462) is (3S,4R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for (3S,4R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for (3S,4R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol is COc1nc(N2CC[C@H](CO)[C@H](O)C2)ncc1F.
What is the InChIKey of (3S,4R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
The InChIKey is RBJCAGNYTUCKMF-VXNVDRBHSA-N. The full InChI is InChI=1S/C11H16FN3O3/c1-18-10-8(12)4-13-11(14-10)15-3-2-7(6-16)9(17)5-15/h4,7,9,16-17H,2-3,5-6H2,1H3/t7-,9-/m1/s1.
What are the key properties of (3S,4R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
(3S,4R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol has a molecular weight of 257.26 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 164697462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).