1'-benzyl-3'-methylspiro[1,2-dihydroindole-3,4'-piperidine]

C20H24N2 — CID 59305171

IUPAC1'-benzyl-3'-methylspiro[1,2-dihydroindole-3,4'-piperidine]
SMILESCC1CN(Cc2ccccc2)CCC12CNc1ccccc12
InChIInChI=1S/C20H24N2/c1-16-13-22(14-17-7-3-2-4-8-17)12-11-20(16)15-21-19-10-6-5-9-18(19)20/h2-10,16,21H,11-15H2,1H3
InChIKeyYXQHYULOXZLFDY-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.89
Rot. Bonds2

About 1'-benzyl-3'-methylspiro[1,2-dihydroindole-3,4'-piperidine]

1'-benzyl-3'-methylspiro[1,2-dihydroindole-3,4'-piperidine] (PubChem CID 59305171) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 1'-benzyl-3'-methylspiro[1,2-dihydroindole-3,4'-piperidine].

Molecular Properties

Compound Name1'-benzyl-3'-methylspiro[1,2-dihydroindole-3,4'-piperidine]
PubChem CID59305171
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name1'-benzyl-3'-methylspiro[1,2-dihydroindole-3,4'-piperidine]
SMILESCC1CN(Cc2ccccc2)CCC12CNc1ccccc12
InChIInChI=1S/C20H24N2/c1-16-13-22(14-17-7-3-2-4-8-17)12-11-20(16)15-21-19-10-6-5-9-18(19)20/h2-10,16,21H,11-15H2,1H3
InChIKeyYXQHYULOXZLFDY-UHFFFAOYSA-N
XLogP3.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-methyl-4-phenylpiperidin-4-ol
CID 3829784
4-anilino-1-benzyl-3-methylpiperidine-4-carboxylic acid
CID 73074090
(3S,5R)-1-benzyl-3,5-dimethylpiperidine-4,4-diol
CID 143088563
(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
CID 69059860
(5S,9S)-7-benzyl-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97471686
1-benzyl-3-methylpiperidine
CID 2794856
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
6-benzyl-6-azaspiro[2.5]octan-8-ol
CID 66783213
1-benzyl-3-methylpiperazine;ethane
CID 166543639
7-benzyl-2,7-diazaspiro[3.5]nonane;ethane
CID 145233671
1-benzyl-3-methyl-4-(3-methylphenyl)piperidin-4-ol
CID 19095619

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-3'-methylspiro[1,2-dihydroindole-3,4'-piperidine]?
The IUPAC name of 1'-benzyl-3'-methylspiro[1,2-dihydroindole-3,4'-piperidine] (CID 59305171) is 1'-benzyl-3'-methylspiro[1,2-dihydroindole-3,4'-piperidine].
What is the SMILES notation for 1'-benzyl-3'-methylspiro[1,2-dihydroindole-3,4'-piperidine]?
The canonical SMILES for 1'-benzyl-3'-methylspiro[1,2-dihydroindole-3,4'-piperidine] is CC1CN(Cc2ccccc2)CCC12CNc1ccccc12.
What is the InChIKey of 1'-benzyl-3'-methylspiro[1,2-dihydroindole-3,4'-piperidine]?
The InChIKey is YXQHYULOXZLFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-16-13-22(14-17-7-3-2-4-8-17)12-11-20(16)15-21-19-10-6-5-9-18(19)20/h2-10,16,21H,11-15H2,1H3.
What are the key properties of 1'-benzyl-3'-methylspiro[1,2-dihydroindole-3,4'-piperidine]?
1'-benzyl-3'-methylspiro[1,2-dihydroindole-3,4'-piperidine] has a molecular weight of 292.43 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-3'-methylspiro[1,2-dihydroindole-3,4'-piperidine] is sourced from PubChem (CID 59305171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).