(3S,4R)-4-(4-fluorophenyl)piperidin-1-ide-3-carboxylic acid;tungsten

C12H13FNO2W- — CID 59215176

IUPAC(3S,4R)-4-(4-fluorophenyl)piperidin-1-ide-3-carboxylic acid;tungsten
SMILESO=C(O)[C@@H]1C[N-]CC[C@H]1c1ccc(F)cc1.[W]
InChIInChI=1S/C12H13FNO2.W/c13-9-3-1-8(2-4-9)10-5-6-14-7-11(10)12(15)16;/h1-4,10-11H,5-7H2,(H,15,16);/q-1;/t10-,11+;/m0./s1
InChIKeyXMCGFEXXLMURFB-VZXYPILPSA-N
MW406.08 g/mol
LogP2.38
Rot. Bonds2

About (3S,4R)-4-(4-fluorophenyl)piperidin-1-ide-3-carboxylic acid;tungsten

(3S,4R)-4-(4-fluorophenyl)piperidin-1-ide-3-carboxylic acid;tungsten (PubChem CID 59215176) has the molecular formula C12H13FNO2W- and a molecular weight of 406.08 g/mol. Its IUPAC name is (3S,4R)-4-(4-fluorophenyl)piperidin-1-ide-3-carboxylic acid;tungsten.

Molecular Properties

Compound Name(3S,4R)-4-(4-fluorophenyl)piperidin-1-ide-3-carboxylic acid;tungsten
PubChem CID59215176
Molecular FormulaC12H13FNO2W-
Molecular Weight406.08 g/mol
Exact Mass406.04
IUPAC Name(3S,4R)-4-(4-fluorophenyl)piperidin-1-ide-3-carboxylic acid;tungsten
SMILESO=C(O)[C@@H]1C[N-]CC[C@H]1c1ccc(F)cc1.[W]
InChIInChI=1S/C12H13FNO2.W/c13-9-3-1-8(2-4-9)10-5-6-14-7-11(10)12(15)16;/h1-4,10-11H,5-7H2,(H,15,16);/q-1;/t10-,11+;/m0./s1
InChIKeyXMCGFEXXLMURFB-VZXYPILPSA-N
XLogP2.38
TPSA51.40 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.08
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(3R,4S)-4-(4-fluorophenyl)piperidin-1-id-3-yl]methanol;rubidium(1+)
CID 58878699
2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 66485215
2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride
CID 45081780
2-(4-fluorophenyl)-4-oxocyclohexane-1-carboxylic acid
CID 67124504
(2R)-1-[2-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119370609
2-[[2-(4-fluorophenyl)cyclobutanecarbonyl]amino]butanedioic acid
CID 155964479
1-[2-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119355577
(2R)-1-[(1R,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 124577107
2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 23423017
2-[cyclopropyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119202970
(3R)-1-[(1R,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 125132949
(3S,4R)-4-(4-fluorophenyl)-1-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride
CID 138628333

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(4-fluorophenyl)piperidin-1-ide-3-carboxylic acid;tungsten?
The IUPAC name of (3S,4R)-4-(4-fluorophenyl)piperidin-1-ide-3-carboxylic acid;tungsten (CID 59215176) is (3S,4R)-4-(4-fluorophenyl)piperidin-1-ide-3-carboxylic acid;tungsten.
What is the SMILES notation for (3S,4R)-4-(4-fluorophenyl)piperidin-1-ide-3-carboxylic acid;tungsten?
The canonical SMILES for (3S,4R)-4-(4-fluorophenyl)piperidin-1-ide-3-carboxylic acid;tungsten is O=C(O)[C@@H]1C[N-]CC[C@H]1c1ccc(F)cc1.[W].
What is the InChIKey of (3S,4R)-4-(4-fluorophenyl)piperidin-1-ide-3-carboxylic acid;tungsten?
The InChIKey is XMCGFEXXLMURFB-VZXYPILPSA-N. The full InChI is InChI=1S/C12H13FNO2.W/c13-9-3-1-8(2-4-9)10-5-6-14-7-11(10)12(15)16;/h1-4,10-11H,5-7H2,(H,15,16);/q-1;/t10-,11+;/m0./s1.
What are the key properties of (3S,4R)-4-(4-fluorophenyl)piperidin-1-ide-3-carboxylic acid;tungsten?
(3S,4R)-4-(4-fluorophenyl)piperidin-1-ide-3-carboxylic acid;tungsten has a molecular weight of 406.08 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(4-fluorophenyl)piperidin-1-ide-3-carboxylic acid;tungsten is sourced from PubChem (CID 59215176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).