3-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride

C13H18ClF2NO — CID 56831222

IUPAC3-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride
SMILESCl.Fc1ccc(COCC2CCCNC2)c(F)c1
InChIInChI=1S/C13H17F2NO.ClH/c14-12-4-3-11(13(15)6-12)9-17-8-10-2-1-5-16-7-10;/h3-4,6,10,16H,1-2,5,7-9H2;1H
InChIKeyXJWCFAJOHAZNPC-UHFFFAOYSA-N
MW277.74 g/mol
LogP2.90
Rot. Bonds4

About 3-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride

3-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride (PubChem CID 56831222) has the molecular formula C13H18ClF2NO and a molecular weight of 277.74 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride
PubChem CID56831222
Molecular FormulaC13H18ClF2NO
Molecular Weight277.74 g/mol
Exact Mass277.10
IUPAC Name3-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride
SMILESCl.Fc1ccc(COCC2CCCNC2)c(F)c1
InChIInChI=1S/C13H17F2NO.ClH/c14-12-4-3-11(13(15)6-12)9-17-8-10-2-1-5-16-7-10;/h3-4,6,10,16H,1-2,5,7-9H2;1H
InChIKeyXJWCFAJOHAZNPC-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831008
4-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831224
3-[(2-fluorophenyl)methoxymethyl]piperidine
CID 56831009
3-[(2,4-difluorophenyl)methoxy]pyrrolidine
CID 56831227
3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride
CID 46735612
3-[2-(4-fluorophenyl)ethoxymethyl]piperidine
CID 45074936
3-methyl-4-(piperidin-3-ylmethoxymethyl)benzonitrile
CID 114484471
4-[(2-fluorophenyl)methoxymethyl]azepane
CID 115070870
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
3-[2-(2,5-difluorophenyl)ethyl]piperidine
CID 62234772
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
(3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine
CID 92670023

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride?
The IUPAC name of 3-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride (CID 56831222) is 3-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride?
The canonical SMILES for 3-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride is Cl.Fc1ccc(COCC2CCCNC2)c(F)c1.
What is the InChIKey of 3-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride?
The InChIKey is XJWCFAJOHAZNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO.ClH/c14-12-4-3-11(13(15)6-12)9-17-8-10-2-1-5-16-7-10;/h3-4,6,10,16H,1-2,5,7-9H2;1H.
What are the key properties of 3-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride?
3-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride has a molecular weight of 277.74 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride is sourced from PubChem (CID 56831222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).