4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride

C12H16ClF2N — CID 86007003

IUPAC4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride
SMILESCl.Fc1cc(F)cc(CC2CCNCC2)c1
InChIInChI=1S/C12H15F2N.ClH/c13-11-6-10(7-12(14)8-11)5-9-1-3-15-4-2-9;/h6-9,15H,1-5H2;1H
InChIKeyHQPIZCWERQGUOX-UHFFFAOYSA-N
MW247.72 g/mol
LogP2.93
Rot. Bonds2

About 4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride

4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride (PubChem CID 86007003) has the molecular formula C12H16ClF2N and a molecular weight of 247.72 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride
PubChem CID86007003
Molecular FormulaC12H16ClF2N
Molecular Weight247.72 g/mol
Exact Mass247.09
IUPAC Name4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride
SMILESCl.Fc1cc(F)cc(CC2CCNCC2)c1
InChIInChI=1S/C12H15F2N.ClH/c13-11-6-10(7-12(14)8-11)5-9-1-3-15-4-2-9;/h6-9,15H,1-5H2;1H
InChIKeyHQPIZCWERQGUOX-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(3,5-difluorophenyl)propyl]piperidine
CID 21180614
3-[(3,5-difluorophenyl)methyl]azepane
CID 105411836
4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119931258
3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine
CID 84780627
4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine
CID 155020969
4-[[4-(fluoromethyl)phenyl]methyl]piperidine
CID 84675538
N-[(3,5-difluorophenyl)methyl]piperidin-4-amine
CID 68801078
N-[2-(3,5-difluorophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119759116
4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine
CID 84798690
4-[(3-bromo-4-fluoro-5-propan-2-ylphenyl)methyl]piperidine
CID 117499962
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
2-(3,5-difluorophenyl)-1-piperidin-4-ylethanone
CID 105411850

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride?
The IUPAC name of 4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride (CID 86007003) is 4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride?
The canonical SMILES for 4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride is Cl.Fc1cc(F)cc(CC2CCNCC2)c1.
What is the InChIKey of 4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride?
The InChIKey is HQPIZCWERQGUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N.ClH/c13-11-6-10(7-12(14)8-11)5-9-1-3-15-4-2-9;/h6-9,15H,1-5H2;1H.
What are the key properties of 4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride?
4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride has a molecular weight of 247.72 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride is sourced from PubChem (CID 86007003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).