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

C19H20FNS — CID 12694069

IUPAC1-(3-fluorophenyl)-1'-methylspiro[1H-2-benzothiophene-3,4'-piperidine]
SMILESCN1CCC2(CC1)SC(c1cccc(F)c1)c1ccccc12
InChIInChI=1S/C19H20FNS/c1-21-11-9-19(10-12-21)17-8-3-2-7-16(17)18(22-19)14-5-4-6-15(20)13-14/h2-8,13,18H,9-12H2,1H3
InChIKeyODYACZGTXLYURO-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.58
Rot. Bonds1

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

1-(3-fluorophenyl)-1'-methylspiro[1H-2-benzothiophene-3,4'-piperidine] (PubChem CID 12694069) has the molecular formula C19H20FNS and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1'-methylspiro[1H-2-benzothiophene-3,4'-piperidine].

Molecular Properties

Compound Name1-(3-fluorophenyl)-1'-methylspiro[1H-2-benzothiophene-3,4'-piperidine]
PubChem CID12694069
Molecular FormulaC19H20FNS
Molecular Weight313.44 g/mol
Exact Mass313.13
IUPAC Name1-(3-fluorophenyl)-1'-methylspiro[1H-2-benzothiophene-3,4'-piperidine]
SMILESCN1CCC2(CC1)SC(c1cccc(F)c1)c1ccccc12
InChIInChI=1S/C19H20FNS/c1-21-11-9-19(10-12-21)17-8-3-2-7-16(17)18(22-19)14-5-4-6-15(20)13-14/h2-8,13,18H,9-12H2,1H3
InChIKeyODYACZGTXLYURO-UHFFFAOYSA-N
XLogP4.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1'-methylspiro[1H-2-benzothiophene-3,4'-piperidine]?
The IUPAC name of 1-(3-fluorophenyl)-1'-methylspiro[1H-2-benzothiophene-3,4'-piperidine] (CID 12694069) is 1-(3-fluorophenyl)-1'-methylspiro[1H-2-benzothiophene-3,4'-piperidine].
What is the SMILES notation for 1-(3-fluorophenyl)-1'-methylspiro[1H-2-benzothiophene-3,4'-piperidine]?
The canonical SMILES for 1-(3-fluorophenyl)-1'-methylspiro[1H-2-benzothiophene-3,4'-piperidine] is CN1CCC2(CC1)SC(c1cccc(F)c1)c1ccccc12.
What is the InChIKey of 1-(3-fluorophenyl)-1'-methylspiro[1H-2-benzothiophene-3,4'-piperidine]?
The InChIKey is ODYACZGTXLYURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNS/c1-21-11-9-19(10-12-21)17-8-3-2-7-16(17)18(22-19)14-5-4-6-15(20)13-14/h2-8,13,18H,9-12H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-1'-methylspiro[1H-2-benzothiophene-3,4'-piperidine]?
1-(3-fluorophenyl)-1'-methylspiro[1H-2-benzothiophene-3,4'-piperidine] has a molecular weight of 313.44 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1'-methylspiro[1H-2-benzothiophene-3,4'-piperidine] is sourced from PubChem (CID 12694069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).