2-(6-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)aniline;dihydrochloride

C18H22Cl3N3 — CID 12801632

IUPAC2-(6-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)aniline;dihydrochloride
SMILESCl.Cl.Nc1ccccc1N1CC2(CCNCC2)c2ccc(Cl)cc21
InChIInChI=1S/C18H20ClN3.2ClH/c19-13-5-6-14-17(11-13)22(16-4-2-1-3-15(16)20)12-18(14)7-9-21-10-8-18;;/h1-6,11,21H,7-10,12,20H2;2*1H
InChIKeyGEJAOKJAEOEXSC-UHFFFAOYSA-N
MW386.75 g/mol
LogP4.54
Rot. Bonds1

About 2-(6-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)aniline;dihydrochloride

2-(6-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)aniline;dihydrochloride (PubChem CID 12801632) has the molecular formula C18H22Cl3N3 and a molecular weight of 386.75 g/mol. Its IUPAC name is 2-(6-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)aniline;dihydrochloride.

Molecular Properties

Compound Name2-(6-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)aniline;dihydrochloride
PubChem CID12801632
Molecular FormulaC18H22Cl3N3
Molecular Weight386.75 g/mol
Exact Mass385.09
IUPAC Name2-(6-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)aniline;dihydrochloride
SMILESCl.Cl.Nc1ccccc1N1CC2(CCNCC2)c2ccc(Cl)cc21
InChIInChI=1S/C18H20ClN3.2ClH/c19-13-5-6-14-17(11-13)22(16-4-2-1-3-15(16)20)12-18(14)7-9-21-10-8-18;;/h1-6,11,21H,7-10,12,20H2;2*1H
InChIKeyGEJAOKJAEOEXSC-UHFFFAOYSA-N
XLogP4.54
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.75
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)aniline;dihydrochloride?
The IUPAC name of 2-(6-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)aniline;dihydrochloride (CID 12801632) is 2-(6-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)aniline;dihydrochloride.
What is the SMILES notation for 2-(6-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)aniline;dihydrochloride?
The canonical SMILES for 2-(6-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)aniline;dihydrochloride is Cl.Cl.Nc1ccccc1N1CC2(CCNCC2)c2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)aniline;dihydrochloride?
The InChIKey is GEJAOKJAEOEXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3.2ClH/c19-13-5-6-14-17(11-13)22(16-4-2-1-3-15(16)20)12-18(14)7-9-21-10-8-18;;/h1-6,11,21H,7-10,12,20H2;2*1H.
What are the key properties of 2-(6-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)aniline;dihydrochloride?
2-(6-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)aniline;dihydrochloride has a molecular weight of 386.75 g/mol, XLogP of 4.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)aniline;dihydrochloride is sourced from PubChem (CID 12801632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).