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

C12H19N2+ — CID 143617051

IUPACspiro[1,2,6,7-tetrahydroindol-1-ium-3,4'-piperidine]
SMILESC1=CC2=C(CC1)[NH2+]CC21CCNCC1
InChIInChI=1S/C12H18N2/c1-2-4-11-10(3-1)12(9-14-11)5-7-13-8-6-12/h1,3,13-14H,2,4-9H2/p+1
InChIKeyJCLXOUCOVICNGY-UHFFFAOYSA-O
MW191.30 g/mol
LogP0.54
Rot. Bonds

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

spiro[1,2,6,7-tetrahydroindol-1-ium-3,4'-piperidine] (PubChem CID 143617051) has the molecular formula C12H19N2+ and a molecular weight of 191.30 g/mol. Its IUPAC name is spiro[1,2,6,7-tetrahydroindol-1-ium-3,4'-piperidine].

Molecular Properties

Compound Namespiro[1,2,6,7-tetrahydroindol-1-ium-3,4'-piperidine]
PubChem CID143617051
Molecular FormulaC12H19N2+
Molecular Weight191.30 g/mol
Exact Mass191.15
IUPAC Namespiro[1,2,6,7-tetrahydroindol-1-ium-3,4'-piperidine]
SMILESC1=CC2=C(CC1)[NH2+]CC21CCNCC1
InChIInChI=1S/C12H18N2/c1-2-4-11-10(3-1)12(9-14-11)5-7-13-8-6-12/h1,3,13-14H,2,4-9H2/p+1
InChIKeyJCLXOUCOVICNGY-UHFFFAOYSA-O
XLogP0.54
TPSA28.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze spiro[1,2,6,7-tetrahydroindol-1-ium-3,4'-piperidine] with MolForge

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Related Compounds

5-(Fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine
CID 69107959
4-[(E)-2-fluoroethenyl]-3-[(Z)-prop-1-enyl]-2,8-diazaspiro[4.5]dec-3-ene
CID 143498263
(5S)-3-(trifluoromethyl)spiro[1,2,5,7-tetrahydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 167047972
Spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]
CID 22357494
2-Fluoren-4-ylidenepiperidine
CID 54069898
3-Azaspiro[5.5]undeca-8,10-diene
CID 59929915
Spiro[1,2-dihydrocyclopenta[b]pyridine-6,4'-piperidine]
CID 69010944
2,3,4,9,9a,9b-hexahydro-1H-indeno[1,2-c]pyridin-8-amine
CID 69711008
1,2,3,8,9,10-Hexahydropyrrolo[3,2-e]isoquinoline
CID 70002016
N-methyl-2-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine
CID 70591434
2-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine
CID 70591455
N-methyl-2-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine
CID 70591677

Frequently Asked Questions

What is the IUPAC name of spiro[1,2,6,7-tetrahydroindol-1-ium-3,4'-piperidine]?
The IUPAC name of spiro[1,2,6,7-tetrahydroindol-1-ium-3,4'-piperidine] (CID 143617051) is spiro[1,2,6,7-tetrahydroindol-1-ium-3,4'-piperidine].
What is the SMILES notation for spiro[1,2,6,7-tetrahydroindol-1-ium-3,4'-piperidine]?
The canonical SMILES for spiro[1,2,6,7-tetrahydroindol-1-ium-3,4'-piperidine] is C1=CC2=C(CC1)[NH2+]CC21CCNCC1.
What is the InChIKey of spiro[1,2,6,7-tetrahydroindol-1-ium-3,4'-piperidine]?
The InChIKey is JCLXOUCOVICNGY-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H18N2/c1-2-4-11-10(3-1)12(9-14-11)5-7-13-8-6-12/h1,3,13-14H,2,4-9H2/p+1.
What are the key properties of spiro[1,2,6,7-tetrahydroindol-1-ium-3,4'-piperidine]?
spiro[1,2,6,7-tetrahydroindol-1-ium-3,4'-piperidine] has a molecular weight of 191.30 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2,6,7-tetrahydroindol-1-ium-3,4'-piperidine] is sourced from PubChem (CID 143617051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).