(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-phenylmethanol

C26H29NO3S — CID 59419573

IUPAC(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-phenylmethanol
SMILESCOC1Cc2sc(C(O)c3ccccc3)cc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C26H29NO3S/c1-29-24-17-22-21(16-23(31-22)25(28)20-10-6-3-7-11-20)26(30-24)12-14-27(15-13-26)18-19-8-4-2-5-9-19/h2-11,16,24-25,28H,12-15,17-18H2,1H3
InChIKeyUMYWBSZKHRPVCV-UHFFFAOYSA-N
MW435.59 g/mol
LogP4.87
Rot. Bonds5

About (1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-phenylmethanol

(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-phenylmethanol (PubChem CID 59419573) has the molecular formula C26H29NO3S and a molecular weight of 435.59 g/mol. Its IUPAC name is (1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-phenylmethanol.

Molecular Properties

Compound Name(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-phenylmethanol
PubChem CID59419573
Molecular FormulaC26H29NO3S
Molecular Weight435.59 g/mol
Exact Mass435.19
IUPAC Name(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-phenylmethanol
SMILESCOC1Cc2sc(C(O)c3ccccc3)cc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C26H29NO3S/c1-29-24-17-22-21(16-23(31-22)25(28)20-10-6-3-7-11-20)26(30-24)12-14-27(15-13-26)18-19-8-4-2-5-9-19/h2-11,16,24-25,28H,12-15,17-18H2,1H3
InChIKeyUMYWBSZKHRPVCV-UHFFFAOYSA-N
XLogP4.87
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-phenylmethanol?
The IUPAC name of (1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-phenylmethanol (CID 59419573) is (1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-phenylmethanol.
What is the SMILES notation for (1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-phenylmethanol?
The canonical SMILES for (1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-phenylmethanol is COC1Cc2sc(C(O)c3ccccc3)cc2C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of (1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-phenylmethanol?
The InChIKey is UMYWBSZKHRPVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3S/c1-29-24-17-22-21(16-23(31-22)25(28)20-10-6-3-7-11-20)26(30-24)12-14-27(15-13-26)18-19-8-4-2-5-9-19/h2-11,16,24-25,28H,12-15,17-18H2,1H3.
What are the key properties of (1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-phenylmethanol?
(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-phenylmethanol has a molecular weight of 435.59 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-phenylmethanol is sourced from PubChem (CID 59419573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).