spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol

C12H17NOS — CID 19028862

IUPACspiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol
SMILESOC1c2ccsc2CCC12CCCCN2
InChIInChI=1S/C12H17NOS/c14-11-9-4-8-15-10(9)3-6-12(11)5-1-2-7-13-12/h4,8,11,13-14H,1-3,5-7H2
InChIKeyCXOMTFJUIIOYBR-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.24
Rot. Bonds

About spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol

spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol (PubChem CID 19028862) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol.

Molecular Properties

Compound Namespiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol
PubChem CID19028862
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Namespiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol
SMILESOC1c2ccsc2CCC12CCCCN2
InChIInChI=1S/C12H17NOS/c14-11-9-4-8-15-10(9)3-6-12(11)5-1-2-7-13-12/h4,8,11,13-14H,1-3,5-7H2
InChIKeyCXOMTFJUIIOYBR-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol?
The IUPAC name of spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol (CID 19028862) is spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol.
What is the SMILES notation for spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol?
The canonical SMILES for spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol is OC1c2ccsc2CCC12CCCCN2.
What is the InChIKey of spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol?
The InChIKey is CXOMTFJUIIOYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c14-11-9-4-8-15-10(9)3-6-12(11)5-1-2-7-13-12/h4,8,11,13-14H,1-3,5-7H2.
What are the key properties of spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol?
spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol has a molecular weight of 223.34 g/mol, XLogP of 2.24, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol is sourced from PubChem (CID 19028862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).