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

C15H18ClF2NO — CID 22495691

IUPAC4-(4,6-difluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine;hydrochloride
SMILESCC1(C)CNCCC1c1c(F)cc(F)c2ccoc12.Cl
InChIInChI=1S/C15H17F2NO.ClH/c1-15(2)8-18-5-3-10(15)13-12(17)7-11(16)9-4-6-19-14(9)13;/h4,6-7,10,18H,3,5,8H2,1-2H3;1H
InChIKeyZDSMSNLIXROSID-UHFFFAOYSA-N
MW301.76 g/mol
LogP4.24
Rot. Bonds1

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

4-(4,6-difluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine;hydrochloride (PubChem CID 22495691) has the molecular formula C15H18ClF2NO and a molecular weight of 301.76 g/mol. Its IUPAC name is 4-(4,6-difluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-(4,6-difluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine;hydrochloride
PubChem CID22495691
Molecular FormulaC15H18ClF2NO
Molecular Weight301.76 g/mol
Exact Mass301.10
IUPAC Name4-(4,6-difluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine;hydrochloride
SMILESCC1(C)CNCCC1c1c(F)cc(F)c2ccoc12.Cl
InChIInChI=1S/C15H17F2NO.ClH/c1-15(2)8-18-5-3-10(15)13-12(17)7-11(16)9-4-6-19-14(9)13;/h4,6-7,10,18H,3,5,8H2,1-2H3;1H
InChIKeyZDSMSNLIXROSID-UHFFFAOYSA-N
XLogP4.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6-difluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine;hydrochloride?
The IUPAC name of 4-(4,6-difluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine;hydrochloride (CID 22495691) is 4-(4,6-difluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine;hydrochloride.
What is the SMILES notation for 4-(4,6-difluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine;hydrochloride?
The canonical SMILES for 4-(4,6-difluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine;hydrochloride is CC1(C)CNCCC1c1c(F)cc(F)c2ccoc12.Cl.
What is the InChIKey of 4-(4,6-difluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine;hydrochloride?
The InChIKey is ZDSMSNLIXROSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO.ClH/c1-15(2)8-18-5-3-10(15)13-12(17)7-11(16)9-4-6-19-14(9)13;/h4,6-7,10,18H,3,5,8H2,1-2H3;1H.
What are the key properties of 4-(4,6-difluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine;hydrochloride?
4-(4,6-difluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine;hydrochloride has a molecular weight of 301.76 g/mol, XLogP of 4.24, 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)-3,3-dimethylpiperidine;hydrochloride is sourced from PubChem (CID 22495691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).