1'-[(2,4-difluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C18H19F2NOS — CID 134816986

IUPAC1'-[(2,4-difluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESFc1ccc(CN2CCC3(CC2)OCCc2ccsc23)c(F)c1
InChIInChI=1S/C18H19F2NOS/c19-15-2-1-14(16(20)11-15)12-21-7-5-18(6-8-21)17-13(3-9-22-18)4-10-23-17/h1-2,4,10-11H,3,5-9,12H2
InChIKeyMGCMHWBQBGPCOU-UHFFFAOYSA-N
MW335.42 g/mol
LogP4.09
Rot. Bonds2

About 1'-[(2,4-difluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

1'-[(2,4-difluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 134816986) has the molecular formula C18H19F2NOS and a molecular weight of 335.42 g/mol. Its IUPAC name is 1'-[(2,4-difluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name1'-[(2,4-difluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID134816986
Molecular FormulaC18H19F2NOS
Molecular Weight335.42 g/mol
Exact Mass335.12
IUPAC Name1'-[(2,4-difluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESFc1ccc(CN2CCC3(CC2)OCCc2ccsc23)c(F)c1
InChIInChI=1S/C18H19F2NOS/c19-15-2-1-14(16(20)11-15)12-21-7-5-18(6-8-21)17-13(3-9-22-18)4-10-23-17/h1-2,4,10-11H,3,5-9,12H2
InChIKeyMGCMHWBQBGPCOU-UHFFFAOYSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1'-[(2,4-difluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] with MolForge

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Related Compounds

1-Benzyl-6-methoxy-6,7-dihydrospiro[piperidine-4,4-thieno[3.2-c]pyran]
CID 25129510
1-(4-Fluorobenzyl)-6-methoxy-6,7-dihydrospiro[piperidine-4,4-thieno[3.2-c]pyran]
CID 25129862
1'-Benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 25167087
1-(Cyclohexylmethyl)-6'',7''-dihydrospiro[piperidine-4,4''-thieno[3,2-c]pyran]
CID 25167287
[(6R)-1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl]methanol
CID 49798707
(6R)-1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 49798740
1-[(6S)-1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl]propan-2-one
CID 49798756
1'-Benzylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]
CID 56651522
1'-Benzyl-6-methoxyspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]
CID 56651523
1'-Benzylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 70676937
6-Methoxy-1-(2-phenylethyl)-6,7-dihydrospiro[piperidine-4,4-thieno[3.2-c]pyrane]
CID 25129866
1-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)-N,N-dimethylmethanamine
CID 25164276

Frequently Asked Questions

What is the IUPAC name of 1'-[(2,4-difluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 1'-[(2,4-difluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 134816986) is 1'-[(2,4-difluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 1'-[(2,4-difluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 1'-[(2,4-difluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is Fc1ccc(CN2CCC3(CC2)OCCc2ccsc23)c(F)c1.
What is the InChIKey of 1'-[(2,4-difluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is MGCMHWBQBGPCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NOS/c19-15-2-1-14(16(20)11-15)12-21-7-5-18(6-8-21)17-13(3-9-22-18)4-10-23-17/h1-2,4,10-11H,3,5-9,12H2.
What are the key properties of 1'-[(2,4-difluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
1'-[(2,4-difluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 335.42 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2,4-difluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 134816986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).