2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline

C19H23N3 — CID 12801597

IUPAC2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline
SMILESCN1CCC2(CC1)CN(c1ccccc1N)c1ccccc12
InChIInChI=1S/C19H23N3/c1-21-12-10-19(11-13-21)14-22(17-8-4-2-6-15(17)19)18-9-5-3-7-16(18)20/h2-9H,10-14,20H2,1H3
InChIKeyUUZWQNUQZMKAHT-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.38
Rot. Bonds1

About 2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline

2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline (PubChem CID 12801597) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline.

Molecular Properties

Compound Name2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline
PubChem CID12801597
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline
SMILESCN1CCC2(CC1)CN(c1ccccc1N)c1ccccc12
InChIInChI=1S/C19H23N3/c1-21-12-10-19(11-13-21)14-22(17-8-4-2-6-15(17)19)18-9-5-3-7-16(18)20/h2-9H,10-14,20H2,1H3
InChIKeyUUZWQNUQZMKAHT-UHFFFAOYSA-N
XLogP3.38
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Monometacrine
CID 145765
1-(2-Diphenyl)piperazine
CID 2737389
3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-1H-2lambda6,1,3-benzothiadiazole 2,2-dioxide
CID 10134217
trans-8-Fluoro-5-(p-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 13014387
(4R,10aR)-4,7-Dimethyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indole
CID 20824945
(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
CID 44305977
2-Methyl-5-((E)-styryl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 46224878
1-[2-(2-Methylphenyl)phenyl]piperazine
CID 60196079
(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
CID 71461603
NOP agonist-1
CID 129188459
(3aS,9bS)-3a-methyl-5-phenyl-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline
CID 153287553
(3aS,9bS)-3,3a-dimethyl-5-phenyl-1,2,4,9b-tetrahydropyrrolo[2,3-c]quinoline
CID 153287566

Frequently Asked Questions

What is the IUPAC name of 2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline?
The IUPAC name of 2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline (CID 12801597) is 2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline.
What is the SMILES notation for 2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline?
The canonical SMILES for 2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline is CN1CCC2(CC1)CN(c1ccccc1N)c1ccccc12.
What is the InChIKey of 2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline?
The InChIKey is UUZWQNUQZMKAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-21-12-10-19(11-13-21)14-22(17-8-4-2-6-15(17)19)18-9-5-3-7-16(18)20/h2-9H,10-14,20H2,1H3.
What are the key properties of 2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline?
2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline has a molecular weight of 293.41 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline is sourced from PubChem (CID 12801597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).