1'-(2,4,6-trimethylphenyl)spiro[indole-3,4'-piperidine]

C21H24N2 — CID 177414966

IUPAC1'-(2,4,6-trimethylphenyl)spiro[indole-3,4'-piperidine]
SMILESCc1cc(C)c(N2CCC3(C=Nc4ccccc43)CC2)c(C)c1
InChIInChI=1S/C21H24N2/c1-15-12-16(2)20(17(3)13-15)23-10-8-21(9-11-23)14-22-19-7-5-4-6-18(19)21/h4-7,12-14H,8-11H2,1-3H3
InChIKeyJKWGVORGECCASH-UHFFFAOYSA-N
MW304.44 g/mol
LogP4.87
Rot. Bonds1

About 1'-(2,4,6-trimethylphenyl)spiro[indole-3,4'-piperidine]

1'-(2,4,6-trimethylphenyl)spiro[indole-3,4'-piperidine] (PubChem CID 177414966) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 1'-(2,4,6-trimethylphenyl)spiro[indole-3,4'-piperidine].

Molecular Properties

Compound Name1'-(2,4,6-trimethylphenyl)spiro[indole-3,4'-piperidine]
PubChem CID177414966
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name1'-(2,4,6-trimethylphenyl)spiro[indole-3,4'-piperidine]
SMILESCc1cc(C)c(N2CCC3(C=Nc4ccccc43)CC2)c(C)c1
InChIInChI=1S/C21H24N2/c1-15-12-16(2)20(17(3)13-15)23-10-8-21(9-11-23)14-22-19-7-5-4-6-18(19)21/h4-7,12-14H,8-11H2,1-3H3
InChIKeyJKWGVORGECCASH-UHFFFAOYSA-N
XLogP4.87
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(2,4,6-trimethylphenyl)spiro[indole-3,4'-piperidine]?
The IUPAC name of 1'-(2,4,6-trimethylphenyl)spiro[indole-3,4'-piperidine] (CID 177414966) is 1'-(2,4,6-trimethylphenyl)spiro[indole-3,4'-piperidine].
What is the SMILES notation for 1'-(2,4,6-trimethylphenyl)spiro[indole-3,4'-piperidine]?
The canonical SMILES for 1'-(2,4,6-trimethylphenyl)spiro[indole-3,4'-piperidine] is Cc1cc(C)c(N2CCC3(C=Nc4ccccc43)CC2)c(C)c1.
What is the InChIKey of 1'-(2,4,6-trimethylphenyl)spiro[indole-3,4'-piperidine]?
The InChIKey is JKWGVORGECCASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-15-12-16(2)20(17(3)13-15)23-10-8-21(9-11-23)14-22-19-7-5-4-6-18(19)21/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of 1'-(2,4,6-trimethylphenyl)spiro[indole-3,4'-piperidine]?
1'-(2,4,6-trimethylphenyl)spiro[indole-3,4'-piperidine] has a molecular weight of 304.44 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2,4,6-trimethylphenyl)spiro[indole-3,4'-piperidine] is sourced from PubChem (CID 177414966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).