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

C13H20ClN — CID 22357493

IUPACspiro[1,2,6,7-tetrahydroindene-3,4'-piperidine];hydrochloride
SMILESC1=CC2=C(CC1)CCC21CCNCC1.Cl
InChIInChI=1S/C13H19N.ClH/c1-2-4-12-11(3-1)5-6-13(12)7-9-14-10-8-13;/h2,4,14H,1,3,5-10H2;1H
InChIKeyKBXOHHJJAFRRQK-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.22
Rot. Bonds

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

spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine];hydrochloride (PubChem CID 22357493) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine];hydrochloride.

Molecular Properties

Compound Namespiro[1,2,6,7-tetrahydroindene-3,4'-piperidine];hydrochloride
PubChem CID22357493
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Namespiro[1,2,6,7-tetrahydroindene-3,4'-piperidine];hydrochloride
SMILESC1=CC2=C(CC1)CCC21CCNCC1.Cl
InChIInChI=1S/C13H19N.ClH/c1-2-4-12-11(3-1)5-6-13(12)7-9-14-10-8-13;/h2,4,14H,1,3,5-10H2;1H
InChIKeyKBXOHHJJAFRRQK-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine];hydrochloride?
The IUPAC name of spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine];hydrochloride (CID 22357493) is spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine];hydrochloride.
What is the SMILES notation for spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine];hydrochloride?
The canonical SMILES for spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine];hydrochloride is C1=CC2=C(CC1)CCC21CCNCC1.Cl.
What is the InChIKey of spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine];hydrochloride?
The InChIKey is KBXOHHJJAFRRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.ClH/c1-2-4-12-11(3-1)5-6-13(12)7-9-14-10-8-13;/h2,4,14H,1,3,5-10H2;1H.
What are the key properties of spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine];hydrochloride?
spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine];hydrochloride has a molecular weight of 225.76 g/mol, XLogP of 3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine];hydrochloride is sourced from PubChem (CID 22357493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).