1-benzyl-3-ethyl-4-(4-fluorophenyl)piperidine

C20H24FN — CID 20607569

IUPAC1-benzyl-3-ethyl-4-(4-fluorophenyl)piperidine
SMILESCCC1CN(Cc2ccccc2)CCC1c1ccc(F)cc1
InChIInChI=1S/C20H24FN/c1-2-17-15-22(14-16-6-4-3-5-7-16)13-12-20(17)18-8-10-19(21)11-9-18/h3-11,17,20H,2,12-15H2,1H3
InChIKeyAOFYCFJTEDDLGU-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.84
Rot. Bonds4

About 1-benzyl-3-ethyl-4-(4-fluorophenyl)piperidine

1-benzyl-3-ethyl-4-(4-fluorophenyl)piperidine (PubChem CID 20607569) has the molecular formula C20H24FN and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-benzyl-3-ethyl-4-(4-fluorophenyl)piperidine.

Molecular Properties

Compound Name1-benzyl-3-ethyl-4-(4-fluorophenyl)piperidine
PubChem CID20607569
Molecular FormulaC20H24FN
Molecular Weight297.42 g/mol
Exact Mass297.19
IUPAC Name1-benzyl-3-ethyl-4-(4-fluorophenyl)piperidine
SMILESCCC1CN(Cc2ccccc2)CCC1c1ccc(F)cc1
InChIInChI=1S/C20H24FN/c1-2-17-15-22(14-16-6-4-3-5-7-16)13-12-20(17)18-8-10-19(21)11-9-18/h3-11,17,20H,2,12-15H2,1H3
InChIKeyAOFYCFJTEDDLGU-UHFFFAOYSA-N
XLogP4.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Setiptiline
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Flunarizine Hydrochloride
CID 5282407
Phencyclidine Hydrochloride
CID 9795678
Azapetine
CID 8966
Cyclizine Hydrochloride
CID 6420019

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-ethyl-4-(4-fluorophenyl)piperidine?
The IUPAC name of 1-benzyl-3-ethyl-4-(4-fluorophenyl)piperidine (CID 20607569) is 1-benzyl-3-ethyl-4-(4-fluorophenyl)piperidine.
What is the SMILES notation for 1-benzyl-3-ethyl-4-(4-fluorophenyl)piperidine?
The canonical SMILES for 1-benzyl-3-ethyl-4-(4-fluorophenyl)piperidine is CCC1CN(Cc2ccccc2)CCC1c1ccc(F)cc1.
What is the InChIKey of 1-benzyl-3-ethyl-4-(4-fluorophenyl)piperidine?
The InChIKey is AOFYCFJTEDDLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN/c1-2-17-15-22(14-16-6-4-3-5-7-16)13-12-20(17)18-8-10-19(21)11-9-18/h3-11,17,20H,2,12-15H2,1H3.
What are the key properties of 1-benzyl-3-ethyl-4-(4-fluorophenyl)piperidine?
1-benzyl-3-ethyl-4-(4-fluorophenyl)piperidine has a molecular weight of 297.42 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-ethyl-4-(4-fluorophenyl)piperidine is sourced from PubChem (CID 20607569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).