(2S,4R)-1-[2-(2-fluorophenyl)benzoyl]-4-hydroxypiperidine-2-carboxylic acid

C19H18FNO4 — CID 133132888

IUPAC(2S,4R)-1-[2-(2-fluorophenyl)benzoyl]-4-hydroxypiperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CCN1C(=O)c1ccccc1-c1ccccc1F
InChIInChI=1S/C19H18FNO4/c20-16-8-4-3-6-14(16)13-5-1-2-7-15(13)18(23)21-10-9-12(22)11-17(21)19(24)25/h1-8,12,17,22H,9-11H2,(H,24,25)/t12-,17+/m1/s1
InChIKeyTYVLVZBJUNEQFW-PXAZEXFGSA-N
MW343.35 g/mol
LogP2.54
Rot. Bonds3

About (2S,4R)-1-[2-(2-fluorophenyl)benzoyl]-4-hydroxypiperidine-2-carboxylic acid

(2S,4R)-1-[2-(2-fluorophenyl)benzoyl]-4-hydroxypiperidine-2-carboxylic acid (PubChem CID 133132888) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is (2S,4R)-1-[2-(2-fluorophenyl)benzoyl]-4-hydroxypiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-[2-(2-fluorophenyl)benzoyl]-4-hydroxypiperidine-2-carboxylic acid
PubChem CID133132888
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name(2S,4R)-1-[2-(2-fluorophenyl)benzoyl]-4-hydroxypiperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CCN1C(=O)c1ccccc1-c1ccccc1F
InChIInChI=1S/C19H18FNO4/c20-16-8-4-3-6-14(16)13-5-1-2-7-15(13)18(23)21-10-9-12(22)11-17(21)19(24)25/h1-8,12,17,22H,9-11H2,(H,24,25)/t12-,17+/m1/s1
InChIKeyTYVLVZBJUNEQFW-PXAZEXFGSA-N
XLogP2.54
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[2-(2-fluorophenyl)benzoyl]-4-hydroxypiperidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-[2-(2-fluorophenyl)benzoyl]-4-hydroxypiperidine-2-carboxylic acid (CID 133132888) is (2S,4R)-1-[2-(2-fluorophenyl)benzoyl]-4-hydroxypiperidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-[2-(2-fluorophenyl)benzoyl]-4-hydroxypiperidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-[2-(2-fluorophenyl)benzoyl]-4-hydroxypiperidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](O)CCN1C(=O)c1ccccc1-c1ccccc1F.
What is the InChIKey of (2S,4R)-1-[2-(2-fluorophenyl)benzoyl]-4-hydroxypiperidine-2-carboxylic acid?
The InChIKey is TYVLVZBJUNEQFW-PXAZEXFGSA-N. The full InChI is InChI=1S/C19H18FNO4/c20-16-8-4-3-6-14(16)13-5-1-2-7-15(13)18(23)21-10-9-12(22)11-17(21)19(24)25/h1-8,12,17,22H,9-11H2,(H,24,25)/t12-,17+/m1/s1.
What are the key properties of (2S,4R)-1-[2-(2-fluorophenyl)benzoyl]-4-hydroxypiperidine-2-carboxylic acid?
(2S,4R)-1-[2-(2-fluorophenyl)benzoyl]-4-hydroxypiperidine-2-carboxylic acid has a molecular weight of 343.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[2-(2-fluorophenyl)benzoyl]-4-hydroxypiperidine-2-carboxylic acid is sourced from PubChem (CID 133132888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).