3-benzyl-4-(2,6-difluorophenyl)piperidine

C18H19F2N — CID 79310572

IUPAC3-benzyl-4-(2,6-difluorophenyl)piperidine
SMILESFc1cccc(F)c1C1CCNCC1Cc1ccccc1
InChIInChI=1S/C18H19F2N/c19-16-7-4-8-17(20)18(16)15-9-10-21-12-14(15)11-13-5-2-1-3-6-13/h1-8,14-15,21H,9-12H2
InChIKeyKEAGIDDCAIYKEV-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.90
Rot. Bonds3

About 3-benzyl-4-(2,6-difluorophenyl)piperidine

3-benzyl-4-(2,6-difluorophenyl)piperidine (PubChem CID 79310572) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is 3-benzyl-4-(2,6-difluorophenyl)piperidine.

Molecular Properties

Compound Name3-benzyl-4-(2,6-difluorophenyl)piperidine
PubChem CID79310572
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC Name3-benzyl-4-(2,6-difluorophenyl)piperidine
SMILESFc1cccc(F)c1C1CCNCC1Cc1ccccc1
InChIInChI=1S/C18H19F2N/c19-16-7-4-8-17(20)18(16)15-9-10-21-12-14(15)11-13-5-2-1-3-6-13/h1-8,14-15,21H,9-12H2
InChIKeyKEAGIDDCAIYKEV-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-benzyl-4-(2,3-dichlorophenyl)piperidine
CID 79310596
4-(2-chloro-6-fluorophenyl)-3-ethylpiperidine
CID 79320257
3-benzyl-4-(3-bromothiophen-2-yl)piperidine
CID 115381528
4-(2-chloro-6-fluorophenyl)-3-propylpiperidine
CID 79320231
3-benzyl-4-cycloheptylpiperidine
CID 79320588
3-benzyl-4-(1-methylpyrazol-4-yl)piperidine
CID 79321270
3-benzyl-4-(5-ethylthiophen-2-yl)piperidine
CID 79320981
(3R,4S)-4-benzylpiperidin-3-ol;hydrochloride
CID 171688498
3-benzyl-4-(4-bromo-5-methylthiophen-2-yl)piperidine
CID 102845451
3-(4-chlorophenyl)-4-(2,6-difluorophenyl)piperidine
CID 79433603
(3R,4S)-3-benzyl-N-phenylpiperidin-4-amine
CID 110129635
3-benzyl-4-(oxolan-3-yl)piperidine
CID 79321075

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-(2,6-difluorophenyl)piperidine?
The IUPAC name of 3-benzyl-4-(2,6-difluorophenyl)piperidine (CID 79310572) is 3-benzyl-4-(2,6-difluorophenyl)piperidine.
What is the SMILES notation for 3-benzyl-4-(2,6-difluorophenyl)piperidine?
The canonical SMILES for 3-benzyl-4-(2,6-difluorophenyl)piperidine is Fc1cccc(F)c1C1CCNCC1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-(2,6-difluorophenyl)piperidine?
The InChIKey is KEAGIDDCAIYKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N/c19-16-7-4-8-17(20)18(16)15-9-10-21-12-14(15)11-13-5-2-1-3-6-13/h1-8,14-15,21H,9-12H2.
What are the key properties of 3-benzyl-4-(2,6-difluorophenyl)piperidine?
3-benzyl-4-(2,6-difluorophenyl)piperidine has a molecular weight of 287.35 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(2,6-difluorophenyl)piperidine is sourced from PubChem (CID 79310572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).