3-[1-(3,4-dihydro-2H-chromen-8-yl)-1-fluoroethyl]piperidine

C16H22FNO — CID 114747708

IUPAC3-[1-(3,4-dihydro-2H-chromen-8-yl)-1-fluoroethyl]piperidine
SMILESCC(F)(c1cccc2c1OCCC2)C1CCCNC1
InChIInChI=1S/C16H22FNO/c1-16(17,13-7-3-9-18-11-13)14-8-2-5-12-6-4-10-19-15(12)14/h2,5,8,13,18H,3-4,6-7,9-11H2,1H3
InChIKeyAOLYRLMVAFLVTJ-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.20
Rot. Bonds2

About 3-[1-(3,4-dihydro-2H-chromen-8-yl)-1-fluoroethyl]piperidine

3-[1-(3,4-dihydro-2H-chromen-8-yl)-1-fluoroethyl]piperidine (PubChem CID 114747708) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-[1-(3,4-dihydro-2H-chromen-8-yl)-1-fluoroethyl]piperidine.

Molecular Properties

Compound Name3-[1-(3,4-dihydro-2H-chromen-8-yl)-1-fluoroethyl]piperidine
PubChem CID114747708
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name3-[1-(3,4-dihydro-2H-chromen-8-yl)-1-fluoroethyl]piperidine
SMILESCC(F)(c1cccc2c1OCCC2)C1CCCNC1
InChIInChI=1S/C16H22FNO/c1-16(17,13-7-3-9-18-11-13)14-8-2-5-12-6-4-10-19-15(12)14/h2,5,8,13,18H,3-4,6-7,9-11H2,1H3
InChIKeyAOLYRLMVAFLVTJ-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-1-piperidin-3-ylethanol
CID 114743230
3-[1-(2,3-dichlorophenyl)-1-fluoroethyl]piperidine
CID 112564829
3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114747537
2-(3,4-dihydro-2H-chromen-8-yl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 114747718
3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 112564921
3-[1-fluoro-1-(2-propoxyphenyl)ethyl]piperidine
CID 104663559
3-[1-(1-benzofuran-2-yl)-1-fluoroethyl]piperidine
CID 114736041
3-[difluoro-(2-methylphenyl)methyl]piperidine
CID 84725689
1-(3,4-dihydro-2H-chromen-8-yl)-1-(2-methylphenyl)ethanamine
CID 114743820
3-[1-(5-bromo-2-fluorophenyl)-1-fluoroethyl]piperidine
CID 112564899
2-[2-(3,4-dihydro-2H-chromen-8-yl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 114747022
3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine
CID 112564951

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dihydro-2H-chromen-8-yl)-1-fluoroethyl]piperidine?
The IUPAC name of 3-[1-(3,4-dihydro-2H-chromen-8-yl)-1-fluoroethyl]piperidine (CID 114747708) is 3-[1-(3,4-dihydro-2H-chromen-8-yl)-1-fluoroethyl]piperidine.
What is the SMILES notation for 3-[1-(3,4-dihydro-2H-chromen-8-yl)-1-fluoroethyl]piperidine?
The canonical SMILES for 3-[1-(3,4-dihydro-2H-chromen-8-yl)-1-fluoroethyl]piperidine is CC(F)(c1cccc2c1OCCC2)C1CCCNC1.
What is the InChIKey of 3-[1-(3,4-dihydro-2H-chromen-8-yl)-1-fluoroethyl]piperidine?
The InChIKey is AOLYRLMVAFLVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-16(17,13-7-3-9-18-11-13)14-8-2-5-12-6-4-10-19-15(12)14/h2,5,8,13,18H,3-4,6-7,9-11H2,1H3.
What are the key properties of 3-[1-(3,4-dihydro-2H-chromen-8-yl)-1-fluoroethyl]piperidine?
3-[1-(3,4-dihydro-2H-chromen-8-yl)-1-fluoroethyl]piperidine has a molecular weight of 263.36 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-dihydro-2H-chromen-8-yl)-1-fluoroethyl]piperidine is sourced from PubChem (CID 114747708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).