2-methylspiro[indole-3,4'-piperidine]

C13H16N2 — CID 57304724

IUPAC2-methylspiro[indole-3,4'-piperidine]
SMILESCC1=Nc2ccccc2C12CCNCC2
InChIInChI=1S/C13H16N2/c1-10-13(6-8-14-9-7-13)11-4-2-3-5-12(11)15-10/h2-5,14H,6-9H2,1H3
InChIKeyLQGGJVVMNBWIMC-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.41
Rot. Bonds

About 2-methylspiro[indole-3,4'-piperidine]

2-methylspiro[indole-3,4'-piperidine] (PubChem CID 57304724) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-methylspiro[indole-3,4'-piperidine].

Molecular Properties

Compound Name2-methylspiro[indole-3,4'-piperidine]
PubChem CID57304724
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name2-methylspiro[indole-3,4'-piperidine]
SMILESCC1=Nc2ccccc2C12CCNCC2
InChIInChI=1S/C13H16N2/c1-10-13(6-8-14-9-7-13)11-4-2-3-5-12(11)15-10/h2-5,14H,6-9H2,1H3
InChIKeyLQGGJVVMNBWIMC-UHFFFAOYSA-N
XLogP2.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylspiro[indole-3,4'-piperidine]?
The IUPAC name of 2-methylspiro[indole-3,4'-piperidine] (CID 57304724) is 2-methylspiro[indole-3,4'-piperidine].
What is the SMILES notation for 2-methylspiro[indole-3,4'-piperidine]?
The canonical SMILES for 2-methylspiro[indole-3,4'-piperidine] is CC1=Nc2ccccc2C12CCNCC2.
What is the InChIKey of 2-methylspiro[indole-3,4'-piperidine]?
The InChIKey is LQGGJVVMNBWIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-10-13(6-8-14-9-7-13)11-4-2-3-5-12(11)15-10/h2-5,14H,6-9H2,1H3.
What are the key properties of 2-methylspiro[indole-3,4'-piperidine]?
2-methylspiro[indole-3,4'-piperidine] has a molecular weight of 200.29 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylspiro[indole-3,4'-piperidine] is sourced from PubChem (CID 57304724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).