1-[1-(2,3,4,5,6-pentafluorophenyl)-1-phenylethyl]piperidine

C19H18F5N — CID 86244142

IUPAC1-[1-(2,3,4,5,6-pentafluorophenyl)-1-phenylethyl]piperidine
SMILESCC(c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)N1CCCCC1
InChIInChI=1S/C19H18F5N/c1-19(12-8-4-2-5-9-12,25-10-6-3-7-11-25)13-14(20)16(22)18(24)17(23)15(13)21/h2,4-5,8-9H,3,6-7,10-11H2,1H3
InChIKeyXFYVLDJAYRPTNX-UHFFFAOYSA-N
MW355.35 g/mol
LogP5.13
Rot. Bonds3

About 1-[1-(2,3,4,5,6-pentafluorophenyl)-1-phenylethyl]piperidine

1-[1-(2,3,4,5,6-pentafluorophenyl)-1-phenylethyl]piperidine (PubChem CID 86244142) has the molecular formula C19H18F5N and a molecular weight of 355.35 g/mol. Its IUPAC name is 1-[1-(2,3,4,5,6-pentafluorophenyl)-1-phenylethyl]piperidine.

Molecular Properties

Compound Name1-[1-(2,3,4,5,6-pentafluorophenyl)-1-phenylethyl]piperidine
PubChem CID86244142
Molecular FormulaC19H18F5N
Molecular Weight355.35 g/mol
Exact Mass355.14
IUPAC Name1-[1-(2,3,4,5,6-pentafluorophenyl)-1-phenylethyl]piperidine
SMILESCC(c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)N1CCCCC1
InChIInChI=1S/C19H18F5N/c1-19(12-8-4-2-5-9-12,25-10-6-3-7-11-25)13-14(20)16(22)18(24)17(23)15(13)21/h2,4-5,8-9H,3,6-7,10-11H2,1H3
InChIKeyXFYVLDJAYRPTNX-UHFFFAOYSA-N
XLogP5.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.35
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(1,1-diphenylethyl)-4,7-dimethyl-1,4,7-triazonane
CID 149041478
2-phenyl-2-piperidin-1-ylpropanoic acid
CID 43803809
2,2,2-trifluoro-1-phenyl-1-piperidin-1-ylethanol
CID 70536093
1-iodo-2-methyl-1-phenyl-2-piperidin-1-ylbutan-1-amine
CID 67653875
5-nitro-2-(1-phenyl-1-pyrrolidin-1-ylethyl)-1H-imidazole
CID 57141976
3-(2,6-difluorophenyl)-3-piperidin-1-ylbutanoic acid
CID 64527211
methyl 2-phenyl-2,2-di(piperidin-1-yl)ethanedithioate
CID 15339011
3-(azepan-1-yl)-1-(2-fluorophenyl)-3-methylbutan-2-amine
CID 79050643
1-(2,2-difluoro-2-phenylethyl)piperidine
CID 70652192
(5R)-1,1,5-triphenyl-5-piperidin-1-ylpentane-1,5-diol
CID 67766742
2,6-dimethyl-4-(2-piperidin-1-ylpropan-2-yl)phenol
CID 134892020
2-methoxy-2-phenyl-2-piperidin-1-ylacetamide
CID 69092730

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3,4,5,6-pentafluorophenyl)-1-phenylethyl]piperidine?
The IUPAC name of 1-[1-(2,3,4,5,6-pentafluorophenyl)-1-phenylethyl]piperidine (CID 86244142) is 1-[1-(2,3,4,5,6-pentafluorophenyl)-1-phenylethyl]piperidine.
What is the SMILES notation for 1-[1-(2,3,4,5,6-pentafluorophenyl)-1-phenylethyl]piperidine?
The canonical SMILES for 1-[1-(2,3,4,5,6-pentafluorophenyl)-1-phenylethyl]piperidine is CC(c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)N1CCCCC1.
What is the InChIKey of 1-[1-(2,3,4,5,6-pentafluorophenyl)-1-phenylethyl]piperidine?
The InChIKey is XFYVLDJAYRPTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F5N/c1-19(12-8-4-2-5-9-12,25-10-6-3-7-11-25)13-14(20)16(22)18(24)17(23)15(13)21/h2,4-5,8-9H,3,6-7,10-11H2,1H3.
What are the key properties of 1-[1-(2,3,4,5,6-pentafluorophenyl)-1-phenylethyl]piperidine?
1-[1-(2,3,4,5,6-pentafluorophenyl)-1-phenylethyl]piperidine has a molecular weight of 355.35 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3,4,5,6-pentafluorophenyl)-1-phenylethyl]piperidine is sourced from PubChem (CID 86244142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).