2-(7-chloro-1-benzofuran-2-yl)-4-ethylpiperidine

C15H18ClNO — CID 114733072

IUPAC2-(7-chloro-1-benzofuran-2-yl)-4-ethylpiperidine
SMILESCCC1CCNC(c2cc3cccc(Cl)c3o2)C1
InChIInChI=1S/C15H18ClNO/c1-2-10-6-7-17-13(8-10)14-9-11-4-3-5-12(16)15(11)18-14/h3-5,9-10,13,17H,2,6-8H2,1H3
InChIKeyLFAFNYQRIKGLCB-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.54
Rot. Bonds2

About 2-(7-chloro-1-benzofuran-2-yl)-4-ethylpiperidine

2-(7-chloro-1-benzofuran-2-yl)-4-ethylpiperidine (PubChem CID 114733072) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(7-chloro-1-benzofuran-2-yl)-4-ethylpiperidine.

Molecular Properties

Compound Name2-(7-chloro-1-benzofuran-2-yl)-4-ethylpiperidine
PubChem CID114733072
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name2-(7-chloro-1-benzofuran-2-yl)-4-ethylpiperidine
SMILESCCC1CCNC(c2cc3cccc(Cl)c3o2)C1
InChIInChI=1S/C15H18ClNO/c1-2-10-6-7-17-13(8-10)14-9-11-4-3-5-12(16)15(11)18-14/h3-5,9-10,13,17H,2,6-8H2,1H3
InChIKeyLFAFNYQRIKGLCB-UHFFFAOYSA-N
XLogP4.54
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(7-chloro-1-benzofuran-2-yl)-1-methyl-1,4-diazepane
CID 82667053
1-[2-(7-chloro-1-benzofuran-2-yl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 114735860
2-(4,5-dimethylfuran-2-yl)-4-ethylpiperidine
CID 130495164
(2S)-4-ethyl-2-phenylpiperidine
CID 170718389
5-chloro-2-(4-ethylpiperidin-2-yl)-6-fluoro-1,3-benzoxazole
CID 114430038
2-(7-chloro-1-benzofuran-2-yl)-N-ethylcycloheptan-1-amine
CID 114732942
2-(7-chloro-1-benzofuran-2-yl)-N-propylcyclohexan-1-amine
CID 114732912
2-(4-ethylpiperidin-2-yl)-4-methoxy-1,3-benzoxazole
CID 114764905
2-(2-bromocycloheptyl)-7-chloro-1-benzofuran
CID 114732835
3-(4-chlorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114429842
N-(2-chloro-6-methylphenyl)-4-ethylpiperidine-2-carboxamide
CID 114429222
[4-ethyl-2-(7-fluoro-1-benzofuran-2-yl)cyclohexyl]methanamine
CID 114735537

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-benzofuran-2-yl)-4-ethylpiperidine?
The IUPAC name of 2-(7-chloro-1-benzofuran-2-yl)-4-ethylpiperidine (CID 114733072) is 2-(7-chloro-1-benzofuran-2-yl)-4-ethylpiperidine.
What is the SMILES notation for 2-(7-chloro-1-benzofuran-2-yl)-4-ethylpiperidine?
The canonical SMILES for 2-(7-chloro-1-benzofuran-2-yl)-4-ethylpiperidine is CCC1CCNC(c2cc3cccc(Cl)c3o2)C1.
What is the InChIKey of 2-(7-chloro-1-benzofuran-2-yl)-4-ethylpiperidine?
The InChIKey is LFAFNYQRIKGLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-2-10-6-7-17-13(8-10)14-9-11-4-3-5-12(16)15(11)18-14/h3-5,9-10,13,17H,2,6-8H2,1H3.
What are the key properties of 2-(7-chloro-1-benzofuran-2-yl)-4-ethylpiperidine?
2-(7-chloro-1-benzofuran-2-yl)-4-ethylpiperidine has a molecular weight of 263.77 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-benzofuran-2-yl)-4-ethylpiperidine is sourced from PubChem (CID 114733072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).