(2S,6R)-2,6-bis[2-(2-fluorophenyl)ethyl]piperidine

C21H25F2N — CID 69202379

IUPAC(2S,6R)-2,6-bis[2-(2-fluorophenyl)ethyl]piperidine
SMILESFc1ccccc1CC[C@H]1CCC[C@@H](CCc2ccccc2F)N1
InChIInChI=1S/C21H25F2N/c22-20-10-3-1-6-16(20)12-14-18-8-5-9-19(24-18)15-13-17-7-2-4-11-21(17)23/h1-4,6-7,10-11,18-19,24H,5,8-9,12-15H2/t18-,19+
InChIKeyYDOJXMPJQRXSOI-KDURUIRLSA-N
MW329.43 g/mol
LogP5.04
Rot. Bonds6

About (2S,6R)-2,6-bis[2-(2-fluorophenyl)ethyl]piperidine

(2S,6R)-2,6-bis[2-(2-fluorophenyl)ethyl]piperidine (PubChem CID 69202379) has the molecular formula C21H25F2N and a molecular weight of 329.43 g/mol. Its IUPAC name is (2S,6R)-2,6-bis[2-(2-fluorophenyl)ethyl]piperidine.

Molecular Properties

Compound Name(2S,6R)-2,6-bis[2-(2-fluorophenyl)ethyl]piperidine
PubChem CID69202379
Molecular FormulaC21H25F2N
Molecular Weight329.43 g/mol
Exact Mass329.20
IUPAC Name(2S,6R)-2,6-bis[2-(2-fluorophenyl)ethyl]piperidine
SMILESFc1ccccc1CC[C@H]1CCC[C@@H](CCc2ccccc2F)N1
InChIInChI=1S/C21H25F2N/c22-20-10-3-1-6-16(20)12-14-18-8-5-9-19(24-18)15-13-17-7-2-4-11-21(17)23/h1-4,6-7,10-11,18-19,24H,5,8-9,12-15H2/t18-,19+
InChIKeyYDOJXMPJQRXSOI-KDURUIRLSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.43
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-bis[2-(2-fluorophenyl)ethyl]piperidine?
The IUPAC name of (2S,6R)-2,6-bis[2-(2-fluorophenyl)ethyl]piperidine (CID 69202379) is (2S,6R)-2,6-bis[2-(2-fluorophenyl)ethyl]piperidine.
What is the SMILES notation for (2S,6R)-2,6-bis[2-(2-fluorophenyl)ethyl]piperidine?
The canonical SMILES for (2S,6R)-2,6-bis[2-(2-fluorophenyl)ethyl]piperidine is Fc1ccccc1CC[C@H]1CCC[C@@H](CCc2ccccc2F)N1.
What is the InChIKey of (2S,6R)-2,6-bis[2-(2-fluorophenyl)ethyl]piperidine?
The InChIKey is YDOJXMPJQRXSOI-KDURUIRLSA-N. The full InChI is InChI=1S/C21H25F2N/c22-20-10-3-1-6-16(20)12-14-18-8-5-9-19(24-18)15-13-17-7-2-4-11-21(17)23/h1-4,6-7,10-11,18-19,24H,5,8-9,12-15H2/t18-,19+.
What are the key properties of (2S,6R)-2,6-bis[2-(2-fluorophenyl)ethyl]piperidine?
(2S,6R)-2,6-bis[2-(2-fluorophenyl)ethyl]piperidine has a molecular weight of 329.43 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-bis[2-(2-fluorophenyl)ethyl]piperidine is sourced from PubChem (CID 69202379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).