1-ethyl-5,6-dimethoxyspiro[2H-indole-3,4'-piperidine]

C16H24N2O2 — CID 83980562

IUPAC1-ethyl-5,6-dimethoxyspiro[2H-indole-3,4'-piperidine]
SMILESCCN1CC2(CCNCC2)c2cc(OC)c(OC)cc21
InChIInChI=1S/C16H24N2O2/c1-4-18-11-16(5-7-17-8-6-16)12-9-14(19-2)15(20-3)10-13(12)18/h9-10,17H,4-8,11H2,1-3H3
InChIKeyTZGKZMPVAGFMDD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.16
Rot. Bonds3

About 1-ethyl-5,6-dimethoxyspiro[2H-indole-3,4'-piperidine]

1-ethyl-5,6-dimethoxyspiro[2H-indole-3,4'-piperidine] (PubChem CID 83980562) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-ethyl-5,6-dimethoxyspiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name1-ethyl-5,6-dimethoxyspiro[2H-indole-3,4'-piperidine]
PubChem CID83980562
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-ethyl-5,6-dimethoxyspiro[2H-indole-3,4'-piperidine]
SMILESCCN1CC2(CCNCC2)c2cc(OC)c(OC)cc21
InChIInChI=1S/C16H24N2O2/c1-4-18-11-16(5-7-17-8-6-16)12-9-14(19-2)15(20-3)10-13(12)18/h9-10,17H,4-8,11H2,1-3H3
InChIKeyTZGKZMPVAGFMDD-UHFFFAOYSA-N
XLogP2.16
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,6-dimethoxyspiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 1-ethyl-5,6-dimethoxyspiro[2H-indole-3,4'-piperidine] (CID 83980562) is 1-ethyl-5,6-dimethoxyspiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 1-ethyl-5,6-dimethoxyspiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 1-ethyl-5,6-dimethoxyspiro[2H-indole-3,4'-piperidine] is CCN1CC2(CCNCC2)c2cc(OC)c(OC)cc21.
What is the InChIKey of 1-ethyl-5,6-dimethoxyspiro[2H-indole-3,4'-piperidine]?
The InChIKey is TZGKZMPVAGFMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-18-11-16(5-7-17-8-6-16)12-9-14(19-2)15(20-3)10-13(12)18/h9-10,17H,4-8,11H2,1-3H3.
What are the key properties of 1-ethyl-5,6-dimethoxyspiro[2H-indole-3,4'-piperidine]?
1-ethyl-5,6-dimethoxyspiro[2H-indole-3,4'-piperidine] has a molecular weight of 276.38 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,6-dimethoxyspiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 83980562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).