4-benzyl-1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]piperidine

C23H30FNO — CID 20605567

IUPAC4-benzyl-1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]piperidine
SMILESCC(C)c1ccc(OCCN2CCC(Cc3ccccc3)CC2)c(F)c1
InChIInChI=1S/C23H30FNO/c1-18(2)21-8-9-23(22(24)17-21)26-15-14-25-12-10-20(11-13-25)16-19-6-4-3-5-7-19/h3-9,17-18,20H,10-16H2,1-2H3
InChIKeyAMZDYMIUGJGAOR-UHFFFAOYSA-N
MW355.50 g/mol
LogP5.28
Rot. Bonds7

About 4-benzyl-1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]piperidine

4-benzyl-1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]piperidine (PubChem CID 20605567) has the molecular formula C23H30FNO and a molecular weight of 355.50 g/mol. Its IUPAC name is 4-benzyl-1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]piperidine
PubChem CID20605567
Molecular FormulaC23H30FNO
Molecular Weight355.50 g/mol
Exact Mass355.23
IUPAC Name4-benzyl-1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]piperidine
SMILESCC(C)c1ccc(OCCN2CCC(Cc3ccccc3)CC2)c(F)c1
InChIInChI=1S/C23H30FNO/c1-18(2)21-8-9-23(22(24)17-21)26-15-14-25-12-10-20(11-13-25)16-19-6-4-3-5-7-19/h3-9,17-18,20H,10-16H2,1-2H3
InChIKeyAMZDYMIUGJGAOR-UHFFFAOYSA-N
XLogP5.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.50
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]piperidine?
The IUPAC name of 4-benzyl-1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]piperidine (CID 20605567) is 4-benzyl-1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]piperidine?
The canonical SMILES for 4-benzyl-1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]piperidine is CC(C)c1ccc(OCCN2CCC(Cc3ccccc3)CC2)c(F)c1.
What is the InChIKey of 4-benzyl-1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]piperidine?
The InChIKey is AMZDYMIUGJGAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FNO/c1-18(2)21-8-9-23(22(24)17-21)26-15-14-25-12-10-20(11-13-25)16-19-6-4-3-5-7-19/h3-9,17-18,20H,10-16H2,1-2H3.
What are the key properties of 4-benzyl-1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]piperidine?
4-benzyl-1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]piperidine has a molecular weight of 355.50 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]piperidine is sourced from PubChem (CID 20605567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).