4-[(5-chloro-1-benzofuran-4-yl)methyl]piperidine

C14H16ClNO — CID 117378095

IUPAC4-[(5-chloro-1-benzofuran-4-yl)methyl]piperidine
SMILESClc1ccc2occc2c1CC1CCNCC1
InChIInChI=1S/C14H16ClNO/c15-13-1-2-14-11(5-8-17-14)12(13)9-10-3-6-16-7-4-10/h1-2,5,8,10,16H,3-4,6-7,9H2
InChIKeyFJCAYJOIURTUSE-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.63
Rot. Bonds2

About 4-[(5-chloro-1-benzofuran-4-yl)methyl]piperidine

4-[(5-chloro-1-benzofuran-4-yl)methyl]piperidine (PubChem CID 117378095) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 4-[(5-chloro-1-benzofuran-4-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(5-chloro-1-benzofuran-4-yl)methyl]piperidine
PubChem CID117378095
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name4-[(5-chloro-1-benzofuran-4-yl)methyl]piperidine
SMILESClc1ccc2occc2c1CC1CCNCC1
InChIInChI=1S/C14H16ClNO/c15-13-1-2-14-11(5-8-17-14)12(13)9-10-3-6-16-7-4-10/h1-2,5,8,10,16H,3-4,6-7,9H2
InChIKeyFJCAYJOIURTUSE-UHFFFAOYSA-N
XLogP3.63
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.63
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-4-yl)methyl]piperidine?
The IUPAC name of 4-[(5-chloro-1-benzofuran-4-yl)methyl]piperidine (CID 117378095) is 4-[(5-chloro-1-benzofuran-4-yl)methyl]piperidine.
What is the SMILES notation for 4-[(5-chloro-1-benzofuran-4-yl)methyl]piperidine?
The canonical SMILES for 4-[(5-chloro-1-benzofuran-4-yl)methyl]piperidine is Clc1ccc2occc2c1CC1CCNCC1.
What is the InChIKey of 4-[(5-chloro-1-benzofuran-4-yl)methyl]piperidine?
The InChIKey is FJCAYJOIURTUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c15-13-1-2-14-11(5-8-17-14)12(13)9-10-3-6-16-7-4-10/h1-2,5,8,10,16H,3-4,6-7,9H2.
What are the key properties of 4-[(5-chloro-1-benzofuran-4-yl)methyl]piperidine?
4-[(5-chloro-1-benzofuran-4-yl)methyl]piperidine has a molecular weight of 249.74 g/mol, XLogP of 3.63, 2 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-4-yl)methyl]piperidine is sourced from PubChem (CID 117378095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).