4-benzyl-1-[(2-fluorophenyl)methyl]piperidine

C19H22FN — CID 1377046

IUPAC4-benzyl-1-[(2-fluorophenyl)methyl]piperidine
SMILESFc1ccccc1CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H22FN/c20-19-9-5-4-8-18(19)15-21-12-10-17(11-13-21)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2
InChIKeyGBQCHUUUTXAHAS-UHFFFAOYSA-N
MW283.39 g/mol
LogP4.28
Rot. Bonds4

About 4-benzyl-1-[(2-fluorophenyl)methyl]piperidine

4-benzyl-1-[(2-fluorophenyl)methyl]piperidine (PubChem CID 1377046) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-benzyl-1-[(2-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[(2-fluorophenyl)methyl]piperidine
PubChem CID1377046
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC Name4-benzyl-1-[(2-fluorophenyl)methyl]piperidine
SMILESFc1ccccc1CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H22FN/c20-19-9-5-4-8-18(19)15-21-12-10-17(11-13-21)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2
InChIKeyGBQCHUUUTXAHAS-UHFFFAOYSA-N
XLogP4.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(2-fluorophenyl)methyl]piperidine?
The IUPAC name of 4-benzyl-1-[(2-fluorophenyl)methyl]piperidine (CID 1377046) is 4-benzyl-1-[(2-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[(2-fluorophenyl)methyl]piperidine?
The canonical SMILES for 4-benzyl-1-[(2-fluorophenyl)methyl]piperidine is Fc1ccccc1CN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-[(2-fluorophenyl)methyl]piperidine?
The InChIKey is GBQCHUUUTXAHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c20-19-9-5-4-8-18(19)15-21-12-10-17(11-13-21)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2.
What are the key properties of 4-benzyl-1-[(2-fluorophenyl)methyl]piperidine?
4-benzyl-1-[(2-fluorophenyl)methyl]piperidine has a molecular weight of 283.39 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(2-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 1377046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).