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

C12H18ClNOS — CID 19028861

IUPACspiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol;hydrochloride
SMILESCl.OC1c2ccsc2CCC12CCCCN2
InChIInChI=1S/C12H17NOS.ClH/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;1H
InChIKeyYUQKITGORBYIDB-UHFFFAOYSA-N
MW259.80 g/mol
LogP2.66
Rot. Bonds

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

spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol;hydrochloride (PubChem CID 19028861) has the molecular formula C12H18ClNOS and a molecular weight of 259.80 g/mol. Its IUPAC name is spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol;hydrochloride.

Molecular Properties

Compound Namespiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol;hydrochloride
PubChem CID19028861
Molecular FormulaC12H18ClNOS
Molecular Weight259.80 g/mol
Exact Mass259.08
IUPAC Namespiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol;hydrochloride
SMILESCl.OC1c2ccsc2CCC12CCCCN2
InChIInChI=1S/C12H17NOS.ClH/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;1H
InChIKeyYUQKITGORBYIDB-UHFFFAOYSA-N
XLogP2.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.80
LogP ≤ 52.66
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;hydrochloride?
The IUPAC name of spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol;hydrochloride (CID 19028861) is spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol;hydrochloride.
What is the SMILES notation for spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol;hydrochloride?
The canonical SMILES for spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol;hydrochloride is Cl.OC1c2ccsc2CCC12CCCCN2.
What is the InChIKey of spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol;hydrochloride?
The InChIKey is YUQKITGORBYIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS.ClH/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;1H.
What are the key properties of spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol;hydrochloride?
spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]-4-ol;hydrochloride has a molecular weight of 259.80 g/mol, XLogP of 2.66, 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;hydrochloride is sourced from PubChem (CID 19028861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).