4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride

C14H16ClF2NO — CID 22495706

IUPAC4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
SMILESCC1CNCCC1c1c(F)cc(F)c2ccoc12.Cl
InChIInChI=1S/C14H15F2NO.ClH/c1-8-7-17-4-2-9(8)13-12(16)6-11(15)10-3-5-18-14(10)13;/h3,5-6,8-9,17H,2,4,7H2,1H3;1H
InChIKeyXGNUOAWQDUOCJO-UHFFFAOYSA-N
MW287.74 g/mol
LogP3.85
Rot. Bonds1

About 4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride

4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride (PubChem CID 22495706) has the molecular formula C14H16ClF2NO and a molecular weight of 287.74 g/mol. Its IUPAC name is 4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
PubChem CID22495706
Molecular FormulaC14H16ClF2NO
Molecular Weight287.74 g/mol
Exact Mass287.09
IUPAC Name4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
SMILESCC1CNCCC1c1c(F)cc(F)c2ccoc12.Cl
InChIInChI=1S/C14H15F2NO.ClH/c1-8-7-17-4-2-9(8)13-12(16)6-11(15)10-3-5-18-14(10)13;/h3,5-6,8-9,17H,2,4,7H2,1H3;1H
InChIKeyXGNUOAWQDUOCJO-UHFFFAOYSA-N
XLogP3.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
CID 22495777
(3R,4R)-4-(5-fluoro-1-benzofuran-4-yl)-3-methylpiperidine;hydrochloride
CID 20775602
4-(4,6-difluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine;hydrochloride
CID 22495691
(3R,4R)-3-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine;hydrochloride
CID 20775596
3-methyl-4-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperidine
CID 22495560
4-(2,4-difluorophenyl)-3-methylpiperidine
CID 66279713
(3S,4S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine;dihydrochloride
CID 140532848
(3R,4R)-4-(5-fluoro-2-methyl-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
CID 20775576
4-(5-fluoro-2-methyl-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
CID 22495554
(3R,4R)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpiperidine
CID 51353699
4-(4-fluoro-2-methylphenyl)-3-methylpiperidine
CID 66277962
1-benzyl-4-(6-fluoro-1-benzofuran-7-yl)-3-methylpiperidin-4-ol;(3S,4R)-4-(6-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
CID 70120681

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride?
The IUPAC name of 4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride (CID 22495706) is 4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride.
What is the SMILES notation for 4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride?
The canonical SMILES for 4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride is CC1CNCCC1c1c(F)cc(F)c2ccoc12.Cl.
What is the InChIKey of 4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride?
The InChIKey is XGNUOAWQDUOCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO.ClH/c1-8-7-17-4-2-9(8)13-12(16)6-11(15)10-3-5-18-14(10)13;/h3,5-6,8-9,17H,2,4,7H2,1H3;1H.
What are the key properties of 4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride?
4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride has a molecular weight of 287.74 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride is sourced from PubChem (CID 22495706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).