6-methoxy-1'-(4-phenylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C22H29NO2S — CID 25130221

IUPAC6-methoxy-1'-(4-phenylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCOC1Cc2sccc2C2(CCN(CCCCc3ccccc3)CC2)O1
InChIInChI=1S/C22H29NO2S/c1-24-21-17-20-19(10-16-26-20)22(25-21)11-14-23(15-12-22)13-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,10,16,21H,5-6,9,11-15,17H2,1H3
InChIKeyZPZLQTRNWNNBTL-UHFFFAOYSA-N
MW371.55 g/mol
LogP4.61
Rot. Bonds6

About 6-methoxy-1'-(4-phenylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

6-methoxy-1'-(4-phenylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 25130221) has the molecular formula C22H29NO2S and a molecular weight of 371.55 g/mol. Its IUPAC name is 6-methoxy-1'-(4-phenylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name6-methoxy-1'-(4-phenylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID25130221
Molecular FormulaC22H29NO2S
Molecular Weight371.55 g/mol
Exact Mass371.19
IUPAC Name6-methoxy-1'-(4-phenylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCOC1Cc2sccc2C2(CCN(CCCCc3ccccc3)CC2)O1
InChIInChI=1S/C22H29NO2S/c1-24-21-17-20-19(10-16-26-20)22(25-21)11-14-23(15-12-22)13-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,10,16,21H,5-6,9,11-15,17H2,1H3
InChIKeyZPZLQTRNWNNBTL-UHFFFAOYSA-N
XLogP4.61
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1'-(4-phenylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 6-methoxy-1'-(4-phenylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 25130221) is 6-methoxy-1'-(4-phenylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 6-methoxy-1'-(4-phenylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 6-methoxy-1'-(4-phenylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is COC1Cc2sccc2C2(CCN(CCCCc3ccccc3)CC2)O1.
What is the InChIKey of 6-methoxy-1'-(4-phenylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is ZPZLQTRNWNNBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2S/c1-24-21-17-20-19(10-16-26-20)22(25-21)11-14-23(15-12-22)13-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,10,16,21H,5-6,9,11-15,17H2,1H3.
What are the key properties of 6-methoxy-1'-(4-phenylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
6-methoxy-1'-(4-phenylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 371.55 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1'-(4-phenylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 25130221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).