2-(4-fluorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]

C19H20FNO — CID 12733490

IUPAC2-(4-fluorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]
SMILESCN1CCC2(CC1)c1ccccc1OC2c1ccc(F)cc1
InChIInChI=1S/C19H20FNO/c1-21-12-10-19(11-13-21)16-4-2-3-5-17(16)22-18(19)14-6-8-15(20)9-7-14/h2-9,18H,10-13H2,1H3
InChIKeyYMBNZQXFOUKSTF-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.92
Rot. Bonds1

About 2-(4-fluorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]

2-(4-fluorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine] (PubChem CID 12733490) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name2-(4-fluorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]
PubChem CID12733490
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name2-(4-fluorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]
SMILESCN1CCC2(CC1)c1ccccc1OC2c1ccc(F)cc1
InChIInChI=1S/C19H20FNO/c1-21-12-10-19(11-13-21)16-4-2-3-5-17(16)22-18(19)14-6-8-15(20)9-7-14/h2-9,18H,10-13H2,1H3
InChIKeyYMBNZQXFOUKSTF-UHFFFAOYSA-N
XLogP3.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-(4-Fluorophenoxy)phenyl)piperidine
CID 22599992
1-[2-(2-Benzyl-phenoxy)-ethyl]-piperidine
CID 44396220
4-(2-(Benzyloxy)-6-fluorophenyl)piperidine
CID 45483406
4-[Bis(4-fluorophenyl)methyl]-1-[3-(4-tert-butylphenoxy)propyl]piperidine
CID 14407108
1-Butanamine, 4-(2-(2-(4-fluorophenyl)ethyl)phenoxy)-N,N-dimethyl-, hydrochloride
CID 3055340
1-Methyl-3-(2-(4-(3-methoxyphenyl)butyl)phenoxymethyl)piperidine
CID 10001250
4-{3-[(1S)-1-(3-fluorophenyl)ethoxy]-2-methylphenyl}piperidine
CID 25263320
4-{3-[(1R)-1-(3-fluorophenyl)ethoxy]-2-methylphenyl}piperidine
CID 25263321
4-(2-(3-Fluorophenoxy)phenyl)piperidine
CID 45375937
4-(2-(2-Fluorobenzyloxy)phenyl)piperidine
CID 45483400
4-(2-(Benzyloxy)-3-fluorophenyl)piperidine
CID 45483405
4-(2-(4-Fluorobenzyloxy)phenyl)piperidine
CID 45483407

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]?
The IUPAC name of 2-(4-fluorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine] (CID 12733490) is 2-(4-fluorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine].
What is the SMILES notation for 2-(4-fluorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]?
The canonical SMILES for 2-(4-fluorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine] is CN1CCC2(CC1)c1ccccc1OC2c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]?
The InChIKey is YMBNZQXFOUKSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c1-21-12-10-19(11-13-21)16-4-2-3-5-17(16)22-18(19)14-6-8-15(20)9-7-14/h2-9,18H,10-13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]?
2-(4-fluorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine] has a molecular weight of 297.37 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 12733490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).