1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-phenylpropan-1-one

C22H24FNO2 — CID 44583356

IUPAC1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCC2(CCc3cc(F)ccc3O2)CC1
InChIInChI=1S/C22H24FNO2/c23-19-7-8-20-18(16-19)10-11-22(26-20)12-14-24(15-13-22)21(25)9-6-17-4-2-1-3-5-17/h1-5,7-8,16H,6,9-15H2
InChIKeyDZCNPAGZPPBTBP-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.14
Rot. Bonds3

About 1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-phenylpropan-1-one

1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-phenylpropan-1-one (PubChem CID 44583356) has the molecular formula C22H24FNO2 and a molecular weight of 353.44 g/mol. Its IUPAC name is 1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-phenylpropan-1-one
PubChem CID44583356
Molecular FormulaC22H24FNO2
Molecular Weight353.44 g/mol
Exact Mass353.18
IUPAC Name1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCC2(CCc3cc(F)ccc3O2)CC1
InChIInChI=1S/C22H24FNO2/c23-19-7-8-20-18(16-19)10-11-22(26-20)12-14-24(15-13-22)21(25)9-6-17-4-2-1-3-5-17/h1-5,7-8,16H,6,9-15H2
InChIKeyDZCNPAGZPPBTBP-UHFFFAOYSA-N
XLogP4.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-phenylpropan-1-one (CID 44583356) is 1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCC2(CCc3cc(F)ccc3O2)CC1.
What is the InChIKey of 1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-phenylpropan-1-one?
The InChIKey is DZCNPAGZPPBTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO2/c23-19-7-8-20-18(16-19)10-11-22(26-20)12-14-24(15-13-22)21(25)9-6-17-4-2-1-3-5-17/h1-5,7-8,16H,6,9-15H2.
What are the key properties of 1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-phenylpropan-1-one?
1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-phenylpropan-1-one has a molecular weight of 353.44 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 44583356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).