3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride

C13H19ClFNO — CID 56831008

IUPAC3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride
SMILESCl.Fc1ccccc1COCC1CCCNC1
InChIInChI=1S/C13H18FNO.ClH/c14-13-6-2-1-5-12(13)10-16-9-11-4-3-7-15-8-11;/h1-2,5-6,11,15H,3-4,7-10H2;1H
InChIKeyRRJIXGIZPPIBQX-UHFFFAOYSA-N
MW259.75 g/mol
LogP2.76
Rot. Bonds4

About 3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride

3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride (PubChem CID 56831008) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride
PubChem CID56831008
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride
SMILESCl.Fc1ccccc1COCC1CCCNC1
InChIInChI=1S/C13H18FNO.ClH/c14-13-6-2-1-5-12(13)10-16-9-11-4-3-7-15-8-11;/h1-2,5-6,11,15H,3-4,7-10H2;1H
InChIKeyRRJIXGIZPPIBQX-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-fluorophenyl)methoxymethyl]piperidine
CID 56831009
4-[(2-fluorophenyl)methoxymethyl]azepane
CID 115070870
3-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831222
3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride
CID 46735612
(2-fluorophenyl)methyl 2-piperidin-3-ylacetate
CID 63932202
methyl 2-(piperidin-3-ylmethoxymethyl)benzoate;hydrochloride
CID 56831193
3-[(2,6-difluorophenoxy)methyl]piperidine
CID 81268520
(3S)-3-[(2,6-difluorophenyl)methoxymethyl]pyrrolidine
CID 86321771
difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine
CID 166104221
N-[2-(2-fluorophenyl)ethyl]-2-piperidin-3-ylethanamine
CID 115211436
3-[(2-chlorophenyl)methoxymethyl]pyrrolidine
CID 56829907
3-[(2-methylphenyl)methoxymethyl]pyrrolidine
CID 56829929

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride?
The IUPAC name of 3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride (CID 56831008) is 3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride.
What is the SMILES notation for 3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride?
The canonical SMILES for 3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride is Cl.Fc1ccccc1COCC1CCCNC1.
What is the InChIKey of 3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride?
The InChIKey is RRJIXGIZPPIBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO.ClH/c14-13-6-2-1-5-12(13)10-16-9-11-4-3-7-15-8-11;/h1-2,5-6,11,15H,3-4,7-10H2;1H.
What are the key properties of 3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride?
3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride has a molecular weight of 259.75 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride is sourced from PubChem (CID 56831008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).