3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropiperidine

C15H20FNO — CID 112563003

IUPAC3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropiperidine
SMILESFC1(CCc2ccc3c(c2)CCO3)CCCNC1
InChIInChI=1S/C15H20FNO/c16-15(6-1-8-17-11-15)7-4-12-2-3-14-13(10-12)5-9-18-14/h2-3,10,17H,1,4-9,11H2
InChIKeyDZQAQLOIKAUNTO-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.65
Rot. Bonds3

About 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropiperidine

3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropiperidine (PubChem CID 112563003) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropiperidine.

Molecular Properties

Compound Name3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropiperidine
PubChem CID112563003
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropiperidine
SMILESFC1(CCc2ccc3c(c2)CCO3)CCCNC1
InChIInChI=1S/C15H20FNO/c16-15(6-1-8-17-11-15)7-4-12-2-3-14-13(10-12)5-9-18-14/h2-3,10,17H,1,4-9,11H2
InChIKeyDZQAQLOIKAUNTO-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropyrrolidine
CID 112564401
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpiperidin-3-yl)propan-1-one
CID 116569479
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79426418
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79836809
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclohexan-1-ol
CID 65446994
2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentyl]-N-methylethanamine
CID 65304047
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclopentan-1-ol
CID 80698664
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116570041
1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxypropyl]cyclopentan-1-ol
CID 103448228
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylcyclohexan-1-amine
CID 65445021
3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidine
CID 65446309
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-ethylpyrrolidin-2-yl)propan-1-one
CID 116608221

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropiperidine?
The IUPAC name of 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropiperidine (CID 112563003) is 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropiperidine.
What is the SMILES notation for 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropiperidine?
The canonical SMILES for 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropiperidine is FC1(CCc2ccc3c(c2)CCO3)CCCNC1.
What is the InChIKey of 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropiperidine?
The InChIKey is DZQAQLOIKAUNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c16-15(6-1-8-17-11-15)7-4-12-2-3-14-13(10-12)5-9-18-14/h2-3,10,17H,1,4-9,11H2.
What are the key properties of 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropiperidine?
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropiperidine has a molecular weight of 249.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropiperidine is sourced from PubChem (CID 112563003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).