[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone

C13H16FNO3 — CID 133116929

IUPAC[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CC[C@@H](O)[C@H](O)C2)ccc1F
InChIInChI=1S/C13H16FNO3/c1-8-6-9(2-3-10(8)14)13(18)15-5-4-11(16)12(17)7-15/h2-3,6,11-12,16-17H,4-5,7H2,1H3/t11-,12-/m1/s1
InChIKeyJWNWYKINHOZAGZ-VXGBXAGGSA-N
MW253.27 g/mol
LogP0.70
Rot. Bonds1

About [(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone

[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone (PubChem CID 133116929) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is [(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
PubChem CID133116929
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CC[C@@H](O)[C@H](O)C2)ccc1F
InChIInChI=1S/C13H16FNO3/c1-8-6-9(2-3-10(8)14)13(18)15-5-4-11(16)12(17)7-15/h2-3,6,11-12,16-17H,4-5,7H2,1H3/t11-,12-/m1/s1
InChIKeyJWNWYKINHOZAGZ-VXGBXAGGSA-N
XLogP0.70
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 115872321
(3-bromopyrrolidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 80677888
(4-fluoro-3-methylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55163647
[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(4-fluoro-3-methylphenyl)methanone
CID 99596896
(4-fluoro-3-methylphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114236873
(4-fluoro-3-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65417667
(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262037
2-(4-fluoro-3-methylbenzoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82857067
[4-(1-aminoethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone;hydrochloride
CID 119519504
N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481326
[4-(4-fluoro-3-methylphenyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 70288816
N-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]methanesulfonamide
CID 63212360

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of [(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone (CID 133116929) is [(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for [(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for [(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone is Cc1cc(C(=O)N2CC[C@@H](O)[C@H](O)C2)ccc1F.
What is the InChIKey of [(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is JWNWYKINHOZAGZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-8-6-9(2-3-10(8)14)13(18)15-5-4-11(16)12(17)7-15/h2-3,6,11-12,16-17H,4-5,7H2,1H3/t11-,12-/m1/s1.
What are the key properties of [(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone?
[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone has a molecular weight of 253.27 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 133116929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).