1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone;hydrochloride

C16H21ClFNO2 — CID 118741577

IUPAC1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone;hydrochloride
SMILESCOCC(=O)N1CCC2(CCc3ccc(F)cc32)CC1.Cl
InChIInChI=1S/C16H20FNO2.ClH/c1-20-11-15(19)18-8-6-16(7-9-18)5-4-12-2-3-13(17)10-14(12)16;/h2-3,10H,4-9,11H2,1H3;1H
InChIKeyCLKCEZDBEHOLOH-UHFFFAOYSA-N
MW313.80 g/mol
LogP2.70
Rot. Bonds2

About 1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone;hydrochloride

1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone;hydrochloride (PubChem CID 118741577) has the molecular formula C16H21ClFNO2 and a molecular weight of 313.80 g/mol. Its IUPAC name is 1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone;hydrochloride.

Molecular Properties

Compound Name1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone;hydrochloride
PubChem CID118741577
Molecular FormulaC16H21ClFNO2
Molecular Weight313.80 g/mol
Exact Mass313.12
IUPAC Name1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone;hydrochloride
SMILESCOCC(=O)N1CCC2(CCc3ccc(F)cc32)CC1.Cl
InChIInChI=1S/C16H20FNO2.ClH/c1-20-11-15(19)18-8-6-16(7-9-18)5-4-12-2-3-13(17)10-14(12)16;/h2-3,10H,4-9,11H2,1H3;1H
InChIKeyCLKCEZDBEHOLOH-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.80
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone;hydrochloride?
The IUPAC name of 1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone;hydrochloride (CID 118741577) is 1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone;hydrochloride.
What is the SMILES notation for 1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone;hydrochloride?
The canonical SMILES for 1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone;hydrochloride is COCC(=O)N1CCC2(CCc3ccc(F)cc32)CC1.Cl.
What is the InChIKey of 1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone;hydrochloride?
The InChIKey is CLKCEZDBEHOLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2.ClH/c1-20-11-15(19)18-8-6-16(7-9-18)5-4-12-2-3-13(17)10-14(12)16;/h2-3,10H,4-9,11H2,1H3;1H.
What are the key properties of 1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone;hydrochloride?
1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone;hydrochloride has a molecular weight of 313.80 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone;hydrochloride is sourced from PubChem (CID 118741577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).