(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)methanol

C19H23NO2S — CID 59419574

IUPAC(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)methanol
SMILESOCC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C19H23NO2S/c21-14-16-12-18-17(6-11-23-18)19(22-16)7-9-20(10-8-19)13-15-4-2-1-3-5-15/h1-6,11,16,21H,7-10,12-14H2
InChIKeyISCXUVUNFBSOLS-UHFFFAOYSA-N
MW329.46 g/mol
LogP3.17
Rot. Bonds3

About (1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)methanol

(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)methanol (PubChem CID 59419574) has the molecular formula C19H23NO2S and a molecular weight of 329.46 g/mol. Its IUPAC name is (1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)methanol.

Molecular Properties

Compound Name(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)methanol
PubChem CID59419574
Molecular FormulaC19H23NO2S
Molecular Weight329.46 g/mol
Exact Mass329.14
IUPAC Name(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)methanol
SMILESOCC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C19H23NO2S/c21-14-16-12-18-17(6-11-23-18)19(22-16)7-9-20(10-8-19)13-15-4-2-1-3-5-15/h1-6,11,16,21H,7-10,12-14H2
InChIKeyISCXUVUNFBSOLS-UHFFFAOYSA-N
XLogP3.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)methanol?
The IUPAC name of (1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)methanol (CID 59419574) is (1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)methanol.
What is the SMILES notation for (1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)methanol?
The canonical SMILES for (1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)methanol is OCC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of (1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)methanol?
The InChIKey is ISCXUVUNFBSOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c21-14-16-12-18-17(6-11-23-18)19(22-16)7-9-20(10-8-19)13-15-4-2-1-3-5-15/h1-6,11,16,21H,7-10,12-14H2.
What are the key properties of (1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)methanol?
(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)methanol has a molecular weight of 329.46 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)methanol is sourced from PubChem (CID 59419574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).