4-(4-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride

C14H16Cl2FNO — CID 22495777

IUPAC4-(4-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
SMILESCC1CNCCC1c1cc(F)c(Cl)c2ccoc12.Cl
InChIInChI=1S/C14H15ClFNO.ClH/c1-8-7-17-4-2-9(8)11-6-12(16)13(15)10-3-5-18-14(10)11;/h3,5-6,8-9,17H,2,4,7H2,1H3;1H
InChIKeyHJXMNJNUMHHJRH-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.36
Rot. Bonds1

About 4-(4-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride

4-(4-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride (PubChem CID 22495777) has the molecular formula C14H16Cl2FNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 4-(4-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-(4-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
PubChem CID22495777
Molecular FormulaC14H16Cl2FNO
Molecular Weight304.19 g/mol
Exact Mass303.06
IUPAC Name4-(4-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
SMILESCC1CNCCC1c1cc(F)c(Cl)c2ccoc12.Cl
InChIInChI=1S/C14H15ClFNO.ClH/c1-8-7-17-4-2-9(8)11-6-12(16)13(15)10-3-5-18-14(10)11;/h3,5-6,8-9,17H,2,4,7H2,1H3;1H
InChIKeyHJXMNJNUMHHJRH-UHFFFAOYSA-N
XLogP4.36
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
CID 22495706
(3R,4R)-3-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine;hydrochloride
CID 20775596
(3R,4R)-4-(5-fluoro-1-benzofuran-4-yl)-3-methylpiperidine;hydrochloride
CID 20775602
4-(4-chloro-2-methylphenyl)-3-methylpiperidine;hydrochloride
CID 69230632
3-methyl-4-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperidine
CID 22495560
4-(4-chloro-2-methylphenyl)-3-methylpiperidine
CID 69230633
4-(2,4-difluorophenyl)-3-methylpiperidine
CID 66279713
4-(5-fluoro-2-methyl-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
CID 22495554
(3R,4R)-4-(5-fluoro-2-methyl-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
CID 20775576
4-(4-fluoro-2-methylphenyl)-3-methylpiperidine
CID 66277962
(3S,4S)-4-[2-chloro-4-(trifluoromethyl)phenyl]-3-methylpiperidine
CID 69230877
(3R,4R)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpiperidine
CID 51353699

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride?
The IUPAC name of 4-(4-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride (CID 22495777) is 4-(4-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride.
What is the SMILES notation for 4-(4-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride?
The canonical SMILES for 4-(4-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride is CC1CNCCC1c1cc(F)c(Cl)c2ccoc12.Cl.
What is the InChIKey of 4-(4-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride?
The InChIKey is HJXMNJNUMHHJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO.ClH/c1-8-7-17-4-2-9(8)11-6-12(16)13(15)10-3-5-18-14(10)11;/h3,5-6,8-9,17H,2,4,7H2,1H3;1H.
What are the key properties of 4-(4-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride?
4-(4-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride has a molecular weight of 304.19 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride is sourced from PubChem (CID 22495777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).