[4-[2-(4-phenylphenyl)ethyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone

C26H23F4NO — CID 46086933

IUPAC[4-[2-(4-phenylphenyl)ethyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone
SMILESO=C(c1c(F)c(F)cc(F)c1F)N1CCC(CCc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C26H23F4NO/c27-21-16-22(28)25(30)23(24(21)29)26(32)31-14-12-18(13-15-31)7-6-17-8-10-20(11-9-17)19-4-2-1-3-5-19/h1-5,8-11,16,18H,6-7,12-15H2
InChIKeyHLXDDNVGOLUPAZ-UHFFFAOYSA-N
MW441.47 g/mol
LogP6.39
Rot. Bonds5

About [4-[2-(4-phenylphenyl)ethyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone

[4-[2-(4-phenylphenyl)ethyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone (PubChem CID 46086933) has the molecular formula C26H23F4NO and a molecular weight of 441.47 g/mol. Its IUPAC name is [4-[2-(4-phenylphenyl)ethyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone.

Molecular Properties

Compound Name[4-[2-(4-phenylphenyl)ethyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone
PubChem CID46086933
Molecular FormulaC26H23F4NO
Molecular Weight441.47 g/mol
Exact Mass441.17
IUPAC Name[4-[2-(4-phenylphenyl)ethyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone
SMILESO=C(c1c(F)c(F)cc(F)c1F)N1CCC(CCc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C26H23F4NO/c27-21-16-22(28)25(30)23(24(21)29)26(32)31-14-12-18(13-15-31)7-6-17-8-10-20(11-9-17)19-4-2-1-3-5-19/h1-5,8-11,16,18H,6-7,12-15H2
InChIKeyHLXDDNVGOLUPAZ-UHFFFAOYSA-N
XLogP6.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.47
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[4-[(4-phenylphenyl)methyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone
CID 46086891
cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 86914488
1-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone
CID 140911761
1-(benzenesulfonyl)-4-[2-(4-phenylphenyl)ethyl]piperidine
CID 46086776
(4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride
CID 119698759
(6-fluoro-2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl)-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 78904203
(4-benzylpiperidin-1-yl)-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)methanone;ethane;sulfane
CID 159975613
phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone
CID 168948503
(2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 24720426
4-[2-[1-[2-(2-phenylphenoxy)acetyl]piperidin-4-yl]ethyl]benzoic acid
CID 140911738
4-(4-benzylpiperidine-1-carbonyl)-2,3,5,6-tetrafluorobenzenesulfonyl chloride
CID 21138810
4-[2-(4-tert-butylphenyl)ethyl]piperidine-1-carboxylic acid
CID 174516040

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-phenylphenyl)ethyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone?
The IUPAC name of [4-[2-(4-phenylphenyl)ethyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone (CID 46086933) is [4-[2-(4-phenylphenyl)ethyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone.
What is the SMILES notation for [4-[2-(4-phenylphenyl)ethyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone?
The canonical SMILES for [4-[2-(4-phenylphenyl)ethyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone is O=C(c1c(F)c(F)cc(F)c1F)N1CCC(CCc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of [4-[2-(4-phenylphenyl)ethyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone?
The InChIKey is HLXDDNVGOLUPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F4NO/c27-21-16-22(28)25(30)23(24(21)29)26(32)31-14-12-18(13-15-31)7-6-17-8-10-20(11-9-17)19-4-2-1-3-5-19/h1-5,8-11,16,18H,6-7,12-15H2.
What are the key properties of [4-[2-(4-phenylphenyl)ethyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone?
[4-[2-(4-phenylphenyl)ethyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone has a molecular weight of 441.47 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-phenylphenyl)ethyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone is sourced from PubChem (CID 46086933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).