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

C25H21F4NO — CID 46086891

IUPAC[4-[(4-phenylphenyl)methyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone
SMILESO=C(c1c(F)c(F)cc(F)c1F)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C25H21F4NO/c26-20-15-21(27)24(29)22(23(20)28)25(31)30-12-10-17(11-13-30)14-16-6-8-19(9-7-16)18-4-2-1-3-5-18/h1-9,15,17H,10-14H2
InChIKeyAYAKSSJGMYSHRD-UHFFFAOYSA-N
MW427.44 g/mol
LogP6.00
Rot. Bonds4

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

[4-[(4-phenylphenyl)methyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone (PubChem CID 46086891) has the molecular formula C25H21F4NO and a molecular weight of 427.44 g/mol. Its IUPAC name is [4-[(4-phenylphenyl)methyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone.

Molecular Properties

Compound Name[4-[(4-phenylphenyl)methyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone
PubChem CID46086891
Molecular FormulaC25H21F4NO
Molecular Weight427.44 g/mol
Exact Mass427.16
IUPAC Name[4-[(4-phenylphenyl)methyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone
SMILESO=C(c1c(F)c(F)cc(F)c1F)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C25H21F4NO/c26-20-15-21(27)24(29)22(23(20)28)25(31)30-12-10-17(11-13-30)14-16-6-8-19(9-7-16)18-4-2-1-3-5-18/h1-9,15,17H,10-14H2
InChIKeyAYAKSSJGMYSHRD-UHFFFAOYSA-N
XLogP6.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.44
LogP ≤ 56.00
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-[2-(4-phenylphenyl)ethyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone
CID 46086933
(4-benzylpiperidin-1-yl)-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)methanone;ethane;sulfane
CID 159975613
4-(4-benzylpiperidine-1-carbonyl)-2,3,5,6-tetrafluorobenzenesulfonyl chloride
CID 21138810
2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone
CID 24720516
1-(4-benzylpiperidin-1-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 112778179
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(2S)-2-methyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]butan-1-one
CID 92757331
(2R)-2-amino-3-hydroxy-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]propan-1-one
CID 142479897
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
(4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 46086895
4-[(4-bromo-3-fluorophenyl)methyl]piperidine-1-carboxylic acid
CID 67000077
(4-benzylpiperidin-1-yl)-[1-(4-fluorophenyl)-2-methyl-5-phenylpyrrol-3-yl]methanone
CID 4672434

Frequently Asked Questions

What is the IUPAC name of [4-[(4-phenylphenyl)methyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone?
The IUPAC name of [4-[(4-phenylphenyl)methyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone (CID 46086891) is [4-[(4-phenylphenyl)methyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone.
What is the SMILES notation for [4-[(4-phenylphenyl)methyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone?
The canonical SMILES for [4-[(4-phenylphenyl)methyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone is O=C(c1c(F)c(F)cc(F)c1F)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of [4-[(4-phenylphenyl)methyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone?
The InChIKey is AYAKSSJGMYSHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F4NO/c26-20-15-21(27)24(29)22(23(20)28)25(31)30-12-10-17(11-13-30)14-16-6-8-19(9-7-16)18-4-2-1-3-5-18/h1-9,15,17H,10-14H2.
What are the key properties of [4-[(4-phenylphenyl)methyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone?
[4-[(4-phenylphenyl)methyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone has a molecular weight of 427.44 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-phenylphenyl)methyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone is sourced from PubChem (CID 46086891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).