1'-benzylspiro[6,7-dihydro-5H-1-benzothiophene-4,4'-piperidine]

C19H23NS — CID 90667186

IUPAC1'-benzylspiro[6,7-dihydro-5H-1-benzothiophene-4,4'-piperidine]
SMILESc1ccc(CN2CCC3(CCCc4sccc43)CC2)cc1
InChIInChI=1S/C19H23NS/c1-2-5-16(6-3-1)15-20-12-10-19(11-13-20)9-4-7-18-17(19)8-14-21-18/h1-3,5-6,8,14H,4,7,9-13,15H2
InChIKeyDQCDUYCWYJRJCS-UHFFFAOYSA-N
MW297.47 g/mol
LogP4.62
Rot. Bonds2

About 1'-benzylspiro[6,7-dihydro-5H-1-benzothiophene-4,4'-piperidine]

1'-benzylspiro[6,7-dihydro-5H-1-benzothiophene-4,4'-piperidine] (PubChem CID 90667186) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is 1'-benzylspiro[6,7-dihydro-5H-1-benzothiophene-4,4'-piperidine].

Molecular Properties

Compound Name1'-benzylspiro[6,7-dihydro-5H-1-benzothiophene-4,4'-piperidine]
PubChem CID90667186
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC Name1'-benzylspiro[6,7-dihydro-5H-1-benzothiophene-4,4'-piperidine]
SMILESc1ccc(CN2CCC3(CCCc4sccc43)CC2)cc1
InChIInChI=1S/C19H23NS/c1-2-5-16(6-3-1)15-20-12-10-19(11-13-20)9-4-7-18-17(19)8-14-21-18/h1-3,5-6,8,14H,4,7,9-13,15H2
InChIKeyDQCDUYCWYJRJCS-UHFFFAOYSA-N
XLogP4.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[6,7-dihydro-5H-1-benzothiophene-4,4'-piperidine]?
The IUPAC name of 1'-benzylspiro[6,7-dihydro-5H-1-benzothiophene-4,4'-piperidine] (CID 90667186) is 1'-benzylspiro[6,7-dihydro-5H-1-benzothiophene-4,4'-piperidine].
What is the SMILES notation for 1'-benzylspiro[6,7-dihydro-5H-1-benzothiophene-4,4'-piperidine]?
The canonical SMILES for 1'-benzylspiro[6,7-dihydro-5H-1-benzothiophene-4,4'-piperidine] is c1ccc(CN2CCC3(CCCc4sccc43)CC2)cc1.
What is the InChIKey of 1'-benzylspiro[6,7-dihydro-5H-1-benzothiophene-4,4'-piperidine]?
The InChIKey is DQCDUYCWYJRJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-2-5-16(6-3-1)15-20-12-10-19(11-13-20)9-4-7-18-17(19)8-14-21-18/h1-3,5-6,8,14H,4,7,9-13,15H2.
What are the key properties of 1'-benzylspiro[6,7-dihydro-5H-1-benzothiophene-4,4'-piperidine]?
1'-benzylspiro[6,7-dihydro-5H-1-benzothiophene-4,4'-piperidine] has a molecular weight of 297.47 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[6,7-dihydro-5H-1-benzothiophene-4,4'-piperidine] is sourced from PubChem (CID 90667186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).