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

C20H26ClN3 — CID 12801610

IUPACN-methyl-2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline;hydrochloride
SMILESCNc1ccccc1N1CC2(CCN(C)CC2)c2ccccc21.Cl
InChIInChI=1S/C20H25N3.ClH/c1-21-17-8-4-6-10-19(17)23-15-20(11-13-22(2)14-12-20)16-7-3-5-9-18(16)23;/h3-10,21H,11-15H2,1-2H3;1H
InChIKeyXRJFRUDKDJEOLC-UHFFFAOYSA-N
MW343.90 g/mol
LogP4.27
Rot. Bonds2

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

N-methyl-2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline;hydrochloride (PubChem CID 12801610) has the molecular formula C20H26ClN3 and a molecular weight of 343.90 g/mol. Its IUPAC name is N-methyl-2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline;hydrochloride
PubChem CID12801610
Molecular FormulaC20H26ClN3
Molecular Weight343.90 g/mol
Exact Mass343.18
IUPAC NameN-methyl-2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline;hydrochloride
SMILESCNc1ccccc1N1CC2(CCN(C)CC2)c2ccccc21.Cl
InChIInChI=1S/C20H25N3.ClH/c1-21-17-8-4-6-10-19(17)23-15-20(11-13-22(2)14-12-20)16-7-3-5-9-18(16)23;/h3-10,21H,11-15H2,1-2H3;1H
InChIKeyXRJFRUDKDJEOLC-UHFFFAOYSA-N
XLogP4.27
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline;hydrochloride?
The IUPAC name of N-methyl-2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline;hydrochloride (CID 12801610) is N-methyl-2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline;hydrochloride.
What is the SMILES notation for N-methyl-2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline;hydrochloride?
The canonical SMILES for N-methyl-2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline;hydrochloride is CNc1ccccc1N1CC2(CCN(C)CC2)c2ccccc21.Cl.
What is the InChIKey of N-methyl-2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline;hydrochloride?
The InChIKey is XRJFRUDKDJEOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3.ClH/c1-21-17-8-4-6-10-19(17)23-15-20(11-13-22(2)14-12-20)16-7-3-5-9-18(16)23;/h3-10,21H,11-15H2,1-2H3;1H.
What are the key properties of N-methyl-2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline;hydrochloride?
N-methyl-2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline;hydrochloride has a molecular weight of 343.90 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline;hydrochloride is sourced from PubChem (CID 12801610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).