1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride

C21H23ClFNO — CID 45261723

IUPAC1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride
SMILESCl.O=C1c2ccccc2CCC12CCN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C21H22FNO.ClH/c22-18-7-5-16(6-8-18)15-23-13-11-21(12-14-23)10-9-17-3-1-2-4-19(17)20(21)24;/h1-8H,9-15H2;1H
InChIKeyXHCWPGHBGKOGLM-UHFFFAOYSA-N
MW359.87 g/mol
LogP4.66
Rot. Bonds2

About 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride

1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride (PubChem CID 45261723) has the molecular formula C21H23ClFNO and a molecular weight of 359.87 g/mol. Its IUPAC name is 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride.

Molecular Properties

Compound Name1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride
PubChem CID45261723
Molecular FormulaC21H23ClFNO
Molecular Weight359.87 g/mol
Exact Mass359.15
IUPAC Name1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride
SMILESCl.O=C1c2ccccc2CCC12CCN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C21H22FNO.ClH/c22-18-7-5-16(6-8-18)15-23-13-11-21(12-14-23)10-9-17-3-1-2-4-19(17)20(21)24;/h1-8H,9-15H2;1H
InChIKeyXHCWPGHBGKOGLM-UHFFFAOYSA-N
XLogP4.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.87
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride?
The IUPAC name of 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride (CID 45261723) is 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride.
What is the SMILES notation for 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride?
The canonical SMILES for 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride is Cl.O=C1c2ccccc2CCC12CCN(Cc1ccc(F)cc1)CC2.
What is the InChIKey of 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride?
The InChIKey is XHCWPGHBGKOGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO.ClH/c22-18-7-5-16(6-8-18)15-23-13-11-21(12-14-23)10-9-17-3-1-2-4-19(17)20(21)24;/h1-8H,9-15H2;1H.
What are the key properties of 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride?
1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride has a molecular weight of 359.87 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride is sourced from PubChem (CID 45261723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).