2-chloro-1'-[(6-methyl-2-pyridinyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol

C18H21ClN2O2S — CID 169139298

IUPAC2-chloro-1'-[(6-methyl-2-pyridinyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol
SMILESCc1cccc(CN2CCC3(CC2)OCC(O)c2cc(Cl)sc23)n1
InChIInChI=1S/C18H21ClN2O2S/c1-12-3-2-4-13(20-12)10-21-7-5-18(6-8-21)17-14(9-16(19)24-17)15(22)11-23-18/h2-4,9,15,22H,5-8,10-11H2,1H3
InChIKeyGDJHCLOKZCLARX-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.66
Rot. Bonds2

About 2-chloro-1'-[(6-methyl-2-pyridinyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol

2-chloro-1'-[(6-methyl-2-pyridinyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol (PubChem CID 169139298) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is 2-chloro-1'-[(6-methyl-2-pyridinyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol.

Molecular Properties

Compound Name2-chloro-1'-[(6-methyl-2-pyridinyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol
PubChem CID169139298
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC Name2-chloro-1'-[(6-methyl-2-pyridinyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol
SMILESCc1cccc(CN2CCC3(CC2)OCC(O)c2cc(Cl)sc23)n1
InChIInChI=1S/C18H21ClN2O2S/c1-12-3-2-4-13(20-12)10-21-7-5-18(6-8-21)17-14(9-16(19)24-17)15(22)11-23-18/h2-4,9,15,22H,5-8,10-11H2,1H3
InChIKeyGDJHCLOKZCLARX-UHFFFAOYSA-N
XLogP3.66
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1'-[(6-methyl-2-pyridinyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol?
The IUPAC name of 2-chloro-1'-[(6-methyl-2-pyridinyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol (CID 169139298) is 2-chloro-1'-[(6-methyl-2-pyridinyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol.
What is the SMILES notation for 2-chloro-1'-[(6-methyl-2-pyridinyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol?
The canonical SMILES for 2-chloro-1'-[(6-methyl-2-pyridinyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol is Cc1cccc(CN2CCC3(CC2)OCC(O)c2cc(Cl)sc23)n1.
What is the InChIKey of 2-chloro-1'-[(6-methyl-2-pyridinyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol?
The InChIKey is GDJHCLOKZCLARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c1-12-3-2-4-13(20-12)10-21-7-5-18(6-8-21)17-14(9-16(19)24-17)15(22)11-23-18/h2-4,9,15,22H,5-8,10-11H2,1H3.
What are the key properties of 2-chloro-1'-[(6-methyl-2-pyridinyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol?
2-chloro-1'-[(6-methyl-2-pyridinyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol has a molecular weight of 364.90 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1'-[(6-methyl-2-pyridinyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol is sourced from PubChem (CID 169139298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).