3-(5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride

C14H17ClFNO — CID 22495654

IUPAC3-(5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
SMILESCC1(c2cc(F)cc3ccoc23)CCCNC1.Cl
InChIInChI=1S/C14H16FNO.ClH/c1-14(4-2-5-16-9-14)12-8-11(15)7-10-3-6-17-13(10)12;/h3,6-8,16H,2,4-5,9H2,1H3;1H
InChIKeyDBCCIOIFNUMTSZ-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.63
Rot. Bonds1

About 3-(5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride

3-(5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride (PubChem CID 22495654) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is 3-(5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name3-(5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
PubChem CID22495654
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name3-(5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
SMILESCC1(c2cc(F)cc3ccoc23)CCCNC1.Cl
InChIInChI=1S/C14H16FNO.ClH/c1-14(4-2-5-16-9-14)12-8-11(15)7-10-3-6-17-13(10)12;/h3,6-8,16H,2,4-5,9H2,1H3;1H
InChIKeyDBCCIOIFNUMTSZ-UHFFFAOYSA-N
XLogP3.63
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride?
The IUPAC name of 3-(5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride (CID 22495654) is 3-(5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride.
What is the SMILES notation for 3-(5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride?
The canonical SMILES for 3-(5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride is CC1(c2cc(F)cc3ccoc23)CCCNC1.Cl.
What is the InChIKey of 3-(5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride?
The InChIKey is DBCCIOIFNUMTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO.ClH/c1-14(4-2-5-16-9-14)12-8-11(15)7-10-3-6-17-13(10)12;/h3,6-8,16H,2,4-5,9H2,1H3;1H.
What are the key properties of 3-(5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride?
3-(5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride has a molecular weight of 269.75 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride is sourced from PubChem (CID 22495654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).