(4-hydroxy-4-phenylpiperidin-1-yl)-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone

C24H22F3N3O2 — CID 44755671

IUPAC(4-hydroxy-4-phenylpiperidin-1-yl)-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
SMILESO=C(c1ccc(Nc2cccc(C(F)(F)F)c2)nc1)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C24H22F3N3O2/c25-24(26,27)19-7-4-8-20(15-19)29-21-10-9-17(16-28-21)22(31)30-13-11-23(32,12-14-30)18-5-2-1-3-6-18/h1-10,15-16,32H,11-14H2,(H,28,29)
InChIKeyVWLOBIJFZGTZFG-UHFFFAOYSA-N
MW441.45 g/mol
LogP4.97
Rot. Bonds4

About (4-hydroxy-4-phenylpiperidin-1-yl)-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone

(4-hydroxy-4-phenylpiperidin-1-yl)-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone (PubChem CID 44755671) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is (4-hydroxy-4-phenylpiperidin-1-yl)-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-hydroxy-4-phenylpiperidin-1-yl)-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
PubChem CID44755671
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC Name(4-hydroxy-4-phenylpiperidin-1-yl)-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
SMILESO=C(c1ccc(Nc2cccc(C(F)(F)F)c2)nc1)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C24H22F3N3O2/c25-24(26,27)19-7-4-8-20(15-19)29-21-10-9-17(16-28-21)22(31)30-13-11-23(32,12-14-30)18-5-2-1-3-6-18/h1-10,15-16,32H,11-14H2,(H,28,29)
InChIKeyVWLOBIJFZGTZFG-UHFFFAOYSA-N
XLogP4.97
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone
CID 109273635
(2-fluorophenyl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 56912424
pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 109225633
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 56904857
(1-ethylpyrazol-4-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 56910663
N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162234
4-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzoic acid
CID 113192978
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 56898774
N-[4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 86296511
N-[3-[[5-(4-formylpiperazine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109155045
2-[3-(trifluoromethyl)anilino]quinoline-7-carboxylic acid
CID 174186287
[6-(3-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109159643

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-phenylpiperidin-1-yl)-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone?
The IUPAC name of (4-hydroxy-4-phenylpiperidin-1-yl)-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone (CID 44755671) is (4-hydroxy-4-phenylpiperidin-1-yl)-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone.
What is the SMILES notation for (4-hydroxy-4-phenylpiperidin-1-yl)-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone?
The canonical SMILES for (4-hydroxy-4-phenylpiperidin-1-yl)-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone is O=C(c1ccc(Nc2cccc(C(F)(F)F)c2)nc1)N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of (4-hydroxy-4-phenylpiperidin-1-yl)-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone?
The InChIKey is VWLOBIJFZGTZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c25-24(26,27)19-7-4-8-20(15-19)29-21-10-9-17(16-28-21)22(31)30-13-11-23(32,12-14-30)18-5-2-1-3-6-18/h1-10,15-16,32H,11-14H2,(H,28,29).
What are the key properties of (4-hydroxy-4-phenylpiperidin-1-yl)-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone?
(4-hydroxy-4-phenylpiperidin-1-yl)-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone has a molecular weight of 441.45 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-phenylpiperidin-1-yl)-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone is sourced from PubChem (CID 44755671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).