spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1,2-diol;hydrochloride

C13H20ClNO2 — CID 70345065

IUPACspiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1,2-diol;hydrochloride
SMILESCl.OC1C2=C(C=CCC2)C2(CCNCC2)C1O
InChIInChI=1S/C13H19NO2.ClH/c15-11-9-3-1-2-4-10(9)13(12(11)16)5-7-14-8-6-13;/h2,4,11-12,14-16H,1,3,5-8H2;1H
InChIKeyOFDZNNZXPYTEEH-UHFFFAOYSA-N
MW257.76 g/mol
LogP1.16
Rot. Bonds

About spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1,2-diol;hydrochloride

spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1,2-diol;hydrochloride (PubChem CID 70345065) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1,2-diol;hydrochloride.

Molecular Properties

Compound Namespiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1,2-diol;hydrochloride
PubChem CID70345065
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Namespiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1,2-diol;hydrochloride
SMILESCl.OC1C2=C(C=CCC2)C2(CCNCC2)C1O
InChIInChI=1S/C13H19NO2.ClH/c15-11-9-3-1-2-4-10(9)13(12(11)16)5-7-14-8-6-13;/h2,4,11-12,14-16H,1,3,5-8H2;1H
InChIKeyOFDZNNZXPYTEEH-UHFFFAOYSA-N
XLogP1.16
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1,2-diol;hydrochloride?
The IUPAC name of spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1,2-diol;hydrochloride (CID 70345065) is spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1,2-diol;hydrochloride.
What is the SMILES notation for spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1,2-diol;hydrochloride?
The canonical SMILES for spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1,2-diol;hydrochloride is Cl.OC1C2=C(C=CCC2)C2(CCNCC2)C1O.
What is the InChIKey of spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1,2-diol;hydrochloride?
The InChIKey is OFDZNNZXPYTEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/c15-11-9-3-1-2-4-10(9)13(12(11)16)5-7-14-8-6-13;/h2,4,11-12,14-16H,1,3,5-8H2;1H.
What are the key properties of spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1,2-diol;hydrochloride?
spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1,2-diol;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 1.16, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]-1,2-diol;hydrochloride is sourced from PubChem (CID 70345065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).