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

C19H23ClFN — CID 71321687

IUPAC1-benzyl-4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
SMILESCl.Fc1ccccc1CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22FN.ClH/c20-19-9-5-4-8-18(19)14-16-10-12-21(13-11-16)15-17-6-2-1-3-7-17;/h1-9,16H,10-15H2;1H
InChIKeyWHYGJDDTVGOVRR-UHFFFAOYSA-N
MW319.85 g/mol
LogP4.70
Rot. Bonds4

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

1-benzyl-4-[(2-fluorophenyl)methyl]piperidine;hydrochloride (PubChem CID 71321687) has the molecular formula C19H23ClFN and a molecular weight of 319.85 g/mol. Its IUPAC name is 1-benzyl-4-[(2-fluorophenyl)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
PubChem CID71321687
Molecular FormulaC19H23ClFN
Molecular Weight319.85 g/mol
Exact Mass319.15
IUPAC Name1-benzyl-4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
SMILESCl.Fc1ccccc1CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22FN.ClH/c20-19-9-5-4-8-18(19)14-16-10-12-21(13-11-16)15-17-6-2-1-3-7-17;/h1-9,16H,10-15H2;1H
InChIKeyWHYGJDDTVGOVRR-UHFFFAOYSA-N
XLogP4.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.85
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(2-fluorophenyl)methyl]piperidine;hydrochloride?
The IUPAC name of 1-benzyl-4-[(2-fluorophenyl)methyl]piperidine;hydrochloride (CID 71321687) is 1-benzyl-4-[(2-fluorophenyl)methyl]piperidine;hydrochloride.
What is the SMILES notation for 1-benzyl-4-[(2-fluorophenyl)methyl]piperidine;hydrochloride?
The canonical SMILES for 1-benzyl-4-[(2-fluorophenyl)methyl]piperidine;hydrochloride is Cl.Fc1ccccc1CC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[(2-fluorophenyl)methyl]piperidine;hydrochloride?
The InChIKey is WHYGJDDTVGOVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN.ClH/c20-19-9-5-4-8-18(19)14-16-10-12-21(13-11-16)15-17-6-2-1-3-7-17;/h1-9,16H,10-15H2;1H.
What are the key properties of 1-benzyl-4-[(2-fluorophenyl)methyl]piperidine;hydrochloride?
1-benzyl-4-[(2-fluorophenyl)methyl]piperidine;hydrochloride has a molecular weight of 319.85 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(2-fluorophenyl)methyl]piperidine;hydrochloride is sourced from PubChem (CID 71321687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).