4-[(2-chloro-4-fluorophenoxy)methyl]-4-methylpiperidine;hydrochloride

C13H18Cl2FNO — CID 156693611

IUPAC4-[(2-chloro-4-fluorophenoxy)methyl]-4-methylpiperidine;hydrochloride
SMILESCC1(COc2ccc(F)cc2Cl)CCNCC1.Cl
InChIInChI=1S/C13H17ClFNO.ClH/c1-13(4-6-16-7-5-13)9-17-12-3-2-10(15)8-11(12)14;/h2-3,8,16H,4-7,9H2,1H3;1H
InChIKeyAKTBSYLYNQEFCP-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.67
Rot. Bonds3

About 4-[(2-chloro-4-fluorophenoxy)methyl]-4-methylpiperidine;hydrochloride

4-[(2-chloro-4-fluorophenoxy)methyl]-4-methylpiperidine;hydrochloride (PubChem CID 156693611) has the molecular formula C13H18Cl2FNO and a molecular weight of 294.20 g/mol. Its IUPAC name is 4-[(2-chloro-4-fluorophenoxy)methyl]-4-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-[(2-chloro-4-fluorophenoxy)methyl]-4-methylpiperidine;hydrochloride
PubChem CID156693611
Molecular FormulaC13H18Cl2FNO
Molecular Weight294.20 g/mol
Exact Mass293.07
IUPAC Name4-[(2-chloro-4-fluorophenoxy)methyl]-4-methylpiperidine;hydrochloride
SMILESCC1(COc2ccc(F)cc2Cl)CCNCC1.Cl
InChIInChI=1S/C13H17ClFNO.ClH/c1-13(4-6-16-7-5-13)9-17-12-3-2-10(15)8-11(12)14;/h2-3,8,16H,4-7,9H2,1H3;1H
InChIKeyAKTBSYLYNQEFCP-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-cyclopentyl-4-fluorophenoxy)methyl]-3-methylpyrrolidine
CID 130297112
3-(2-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120892148
3-(2,4-difluorophenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
CID 146333330
2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441205
1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
CID 120898489
2-[1-[(2-chloro-4-fluorophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071095
(2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride
CID 120966667
[1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120967322
3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride
CID 56830076
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2-chloro-4-fluorophenoxy)ethanone;hydrochloride
CID 120806708
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120634609
3-chloro-2-fluoro-4-[(1-methylcyclopropyl)methoxy]aniline
CID 166539158

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-fluorophenoxy)methyl]-4-methylpiperidine;hydrochloride?
The IUPAC name of 4-[(2-chloro-4-fluorophenoxy)methyl]-4-methylpiperidine;hydrochloride (CID 156693611) is 4-[(2-chloro-4-fluorophenoxy)methyl]-4-methylpiperidine;hydrochloride.
What is the SMILES notation for 4-[(2-chloro-4-fluorophenoxy)methyl]-4-methylpiperidine;hydrochloride?
The canonical SMILES for 4-[(2-chloro-4-fluorophenoxy)methyl]-4-methylpiperidine;hydrochloride is CC1(COc2ccc(F)cc2Cl)CCNCC1.Cl.
What is the InChIKey of 4-[(2-chloro-4-fluorophenoxy)methyl]-4-methylpiperidine;hydrochloride?
The InChIKey is AKTBSYLYNQEFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO.ClH/c1-13(4-6-16-7-5-13)9-17-12-3-2-10(15)8-11(12)14;/h2-3,8,16H,4-7,9H2,1H3;1H.
What are the key properties of 4-[(2-chloro-4-fluorophenoxy)methyl]-4-methylpiperidine;hydrochloride?
4-[(2-chloro-4-fluorophenoxy)methyl]-4-methylpiperidine;hydrochloride has a molecular weight of 294.20 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-fluorophenoxy)methyl]-4-methylpiperidine;hydrochloride is sourced from PubChem (CID 156693611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).