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

C13H19N — CID 22357494

IUPACspiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]
SMILESC1=CC2=C(CC1)CCC21CCNCC1
InChIInChI=1S/C13H19N/c1-2-4-12-11(3-1)5-6-13(12)7-9-14-10-8-13/h2,4,14H,1,3,5-10H2
InChIKeyKLKAHCJKMNLKGK-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.80
Rot. Bonds

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

spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine] (PubChem CID 22357494) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine].

Molecular Properties

Compound Namespiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]
PubChem CID22357494
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Namespiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]
SMILESC1=CC2=C(CC1)CCC21CCNCC1
InChIInChI=1S/C13H19N/c1-2-4-12-11(3-1)5-6-13(12)7-9-14-10-8-13/h2,4,14H,1,3,5-10H2
InChIKeyKLKAHCJKMNLKGK-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.80
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]?
The IUPAC name of spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine] (CID 22357494) is spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine].
What is the SMILES notation for spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]?
The canonical SMILES for spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine] is C1=CC2=C(CC1)CCC21CCNCC1.
What is the InChIKey of spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]?
The InChIKey is KLKAHCJKMNLKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-2-4-12-11(3-1)5-6-13(12)7-9-14-10-8-13/h2,4,14H,1,3,5-10H2.
What are the key properties of spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]?
spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine] has a molecular weight of 189.30 g/mol, XLogP of 2.80, 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] is sourced from PubChem (CID 22357494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).