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

C12H14ClF4NO — CID 177334106

IUPAC4-[2-(difluoromethoxy)-3,4-difluorophenyl]piperidine;hydrochloride
SMILESCl.Fc1ccc(C2CCNCC2)c(OC(F)F)c1F
InChIInChI=1S/C12H13F4NO.ClH/c13-9-2-1-8(7-3-5-17-6-4-7)11(10(9)14)18-12(15)16;/h1-2,7,12,17H,3-6H2;1H
InChIKeyOXXNDDFFUYDZIH-UHFFFAOYSA-N
MW299.70 g/mol
LogP3.45
Rot. Bonds3

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

4-[2-(difluoromethoxy)-3,4-difluorophenyl]piperidine;hydrochloride (PubChem CID 177334106) has the molecular formula C12H14ClF4NO and a molecular weight of 299.70 g/mol. Its IUPAC name is 4-[2-(difluoromethoxy)-3,4-difluorophenyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[2-(difluoromethoxy)-3,4-difluorophenyl]piperidine;hydrochloride
PubChem CID177334106
Molecular FormulaC12H14ClF4NO
Molecular Weight299.70 g/mol
Exact Mass299.07
IUPAC Name4-[2-(difluoromethoxy)-3,4-difluorophenyl]piperidine;hydrochloride
SMILESCl.Fc1ccc(C2CCNCC2)c(OC(F)F)c1F
InChIInChI=1S/C12H13F4NO.ClH/c13-9-2-1-8(7-3-5-17-6-4-7)11(10(9)14)18-12(15)16;/h1-2,7,12,17H,3-6H2;1H
InChIKeyOXXNDDFFUYDZIH-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.70
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine
CID 118483533
2,6-difluoro-3-piperidin-4-ylaniline
CID 165455594
4-(2,3-difluorophenyl)azepane
CID 83262443
2,3-difluoro-6-piperidin-4-ylbenzonitrile
CID 177334116
4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 169452686
4-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 134691223
4-[5-(difluoromethyl)-2,3-difluorophenyl]piperidine
CID 84706137
1-chloro-3-(difluoromethoxy)-2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 139947221
4-(2-fluorophenyl)piperidine;molecular hydrogen
CID 156796206
4-(2,6-difluorophenoxy)piperidine;hydrochloride
CID 170912049
1-(2-fluoro-3-piperidin-4-ylphenyl)ethanone
CID 57448055
4-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
CID 117465158

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethoxy)-3,4-difluorophenyl]piperidine;hydrochloride?
The IUPAC name of 4-[2-(difluoromethoxy)-3,4-difluorophenyl]piperidine;hydrochloride (CID 177334106) is 4-[2-(difluoromethoxy)-3,4-difluorophenyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[2-(difluoromethoxy)-3,4-difluorophenyl]piperidine;hydrochloride?
The canonical SMILES for 4-[2-(difluoromethoxy)-3,4-difluorophenyl]piperidine;hydrochloride is Cl.Fc1ccc(C2CCNCC2)c(OC(F)F)c1F.
What is the InChIKey of 4-[2-(difluoromethoxy)-3,4-difluorophenyl]piperidine;hydrochloride?
The InChIKey is OXXNDDFFUYDZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO.ClH/c13-9-2-1-8(7-3-5-17-6-4-7)11(10(9)14)18-12(15)16;/h1-2,7,12,17H,3-6H2;1H.
What are the key properties of 4-[2-(difluoromethoxy)-3,4-difluorophenyl]piperidine;hydrochloride?
4-[2-(difluoromethoxy)-3,4-difluorophenyl]piperidine;hydrochloride has a molecular weight of 299.70 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethoxy)-3,4-difluorophenyl]piperidine;hydrochloride is sourced from PubChem (CID 177334106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).