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

C12H17ClFN — CID 46172843

IUPAC4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
SMILESCl.Fc1ccccc1CC1CCNCC1
InChIInChI=1S/C12H16FN.ClH/c13-12-4-2-1-3-11(12)9-10-5-7-14-8-6-10;/h1-4,10,14H,5-9H2;1H
InChIKeyPXFXMIWBLWWLLL-UHFFFAOYSA-N
MW229.73 g/mol
LogP2.79
Rot. Bonds2

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

4-[(2-fluorophenyl)methyl]piperidine;hydrochloride (PubChem CID 46172843) has the molecular formula C12H17ClFN and a molecular weight of 229.73 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
PubChem CID46172843
Molecular FormulaC12H17ClFN
Molecular Weight229.73 g/mol
Exact Mass229.10
IUPAC Name4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
SMILESCl.Fc1ccccc1CC1CCNCC1
InChIInChI=1S/C12H16FN.ClH/c13-12-4-2-1-3-11(12)9-10-5-7-14-8-6-10;/h1-4,10,14H,5-9H2;1H
InChIKeyPXFXMIWBLWWLLL-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]piperidine;hydrochloride?
The IUPAC name of 4-[(2-fluorophenyl)methyl]piperidine;hydrochloride (CID 46172843) is 4-[(2-fluorophenyl)methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]piperidine;hydrochloride?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]piperidine;hydrochloride is Cl.Fc1ccccc1CC1CCNCC1.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]piperidine;hydrochloride?
The InChIKey is PXFXMIWBLWWLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN.ClH/c13-12-4-2-1-3-11(12)9-10-5-7-14-8-6-10;/h1-4,10,14H,5-9H2;1H.
What are the key properties of 4-[(2-fluorophenyl)methyl]piperidine;hydrochloride?
4-[(2-fluorophenyl)methyl]piperidine;hydrochloride has a molecular weight of 229.73 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]piperidine;hydrochloride is sourced from PubChem (CID 46172843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).