1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-[2-(4-fluorophenyl)ethyl]piperidine

C20H21ClF3N — CID 134154411

IUPAC1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-[2-(4-fluorophenyl)ethyl]piperidine
SMILESFc1ccc(CCC2CN(Cc3ccc(Cl)cc3)CCC2(F)F)cc1
InChIInChI=1S/C20H21ClF3N/c21-18-7-2-16(3-8-18)13-25-12-11-20(23,24)17(14-25)6-1-15-4-9-19(22)10-5-15/h2-5,7-10,17H,1,6,11-14H2
InChIKeyIAQBHCHWTSYAPD-UHFFFAOYSA-N
MW367.84 g/mol
LogP5.57
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-[2-(4-fluorophenyl)ethyl]piperidine

1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-[2-(4-fluorophenyl)ethyl]piperidine (PubChem CID 134154411) has the molecular formula C20H21ClF3N and a molecular weight of 367.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-[2-(4-fluorophenyl)ethyl]piperidine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-[2-(4-fluorophenyl)ethyl]piperidine
PubChem CID134154411
Molecular FormulaC20H21ClF3N
Molecular Weight367.84 g/mol
Exact Mass367.13
IUPAC Name1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-[2-(4-fluorophenyl)ethyl]piperidine
SMILESFc1ccc(CCC2CN(Cc3ccc(Cl)cc3)CCC2(F)F)cc1
InChIInChI=1S/C20H21ClF3N/c21-18-7-2-16(3-8-18)13-25-12-11-20(23,24)17(14-25)6-1-15-4-9-19(22)10-5-15/h2-5,7-10,17H,1,6,11-14H2
InChIKeyIAQBHCHWTSYAPD-UHFFFAOYSA-N
XLogP5.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.84
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-[2-(4-fluorophenyl)ethyl]piperidine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-[2-(4-fluorophenyl)ethyl]piperidine (CID 134154411) is 1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-[2-(4-fluorophenyl)ethyl]piperidine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-[2-(4-fluorophenyl)ethyl]piperidine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-[2-(4-fluorophenyl)ethyl]piperidine is Fc1ccc(CCC2CN(Cc3ccc(Cl)cc3)CCC2(F)F)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-[2-(4-fluorophenyl)ethyl]piperidine?
The InChIKey is IAQBHCHWTSYAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N/c21-18-7-2-16(3-8-18)13-25-12-11-20(23,24)17(14-25)6-1-15-4-9-19(22)10-5-15/h2-5,7-10,17H,1,6,11-14H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-[2-(4-fluorophenyl)ethyl]piperidine?
1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-[2-(4-fluorophenyl)ethyl]piperidine has a molecular weight of 367.84 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-[2-(4-fluorophenyl)ethyl]piperidine is sourced from PubChem (CID 134154411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).