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

C14H16ClNO — CID 22495769

IUPAC4-(5-chloro-1-benzofuran-7-yl)-3-methylpiperidine
SMILESCC1CNCCC1c1cc(Cl)cc2ccoc12
InChIInChI=1S/C14H16ClNO/c1-9-8-16-4-2-12(9)13-7-11(15)6-10-3-5-17-14(10)13/h3,5-7,9,12,16H,2,4,8H2,1H3
InChIKeyJYXXCVYRMMMBOA-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.80
Rot. Bonds1

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

4-(5-chloro-1-benzofuran-7-yl)-3-methylpiperidine (PubChem CID 22495769) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 4-(5-chloro-1-benzofuran-7-yl)-3-methylpiperidine.

Molecular Properties

Compound Name4-(5-chloro-1-benzofuran-7-yl)-3-methylpiperidine
PubChem CID22495769
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name4-(5-chloro-1-benzofuran-7-yl)-3-methylpiperidine
SMILESCC1CNCCC1c1cc(Cl)cc2ccoc12
InChIInChI=1S/C14H16ClNO/c1-9-8-16-4-2-12(9)13-7-11(15)6-10-3-5-17-14(10)13/h3,5-7,9,12,16H,2,4,8H2,1H3
InChIKeyJYXXCVYRMMMBOA-UHFFFAOYSA-N
XLogP3.80
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-benzofuran-7-yl)-3-methylpiperidine?
The IUPAC name of 4-(5-chloro-1-benzofuran-7-yl)-3-methylpiperidine (CID 22495769) is 4-(5-chloro-1-benzofuran-7-yl)-3-methylpiperidine.
What is the SMILES notation for 4-(5-chloro-1-benzofuran-7-yl)-3-methylpiperidine?
The canonical SMILES for 4-(5-chloro-1-benzofuran-7-yl)-3-methylpiperidine is CC1CNCCC1c1cc(Cl)cc2ccoc12.
What is the InChIKey of 4-(5-chloro-1-benzofuran-7-yl)-3-methylpiperidine?
The InChIKey is JYXXCVYRMMMBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-9-8-16-4-2-12(9)13-7-11(15)6-10-3-5-17-14(10)13/h3,5-7,9,12,16H,2,4,8H2,1H3.
What are the key properties of 4-(5-chloro-1-benzofuran-7-yl)-3-methylpiperidine?
4-(5-chloro-1-benzofuran-7-yl)-3-methylpiperidine has a molecular weight of 249.74 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1-benzofuran-7-yl)-3-methylpiperidine is sourced from PubChem (CID 22495769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).