1-methanidyl-4-(piperidin-4-ylidenemethyl)-2,3-dihydro-1H-indol-1-ium

C15H20N2 — CID 166017076

IUPAC1-methanidyl-4-(piperidin-4-ylidenemethyl)-2,3-dihydro-1H-indol-1-ium
SMILES[CH2-][NH+]1CCc2c(C=C3CCNCC3)cccc21
InChIInChI=1S/C15H20N2/c1-17-10-7-14-13(3-2-4-15(14)17)11-12-5-8-16-9-6-12/h2-4,11,16-17H,1,5-10H2
InChIKeyCXCRKPCKAPSBKH-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.32
Rot. Bonds1

About 1-methanidyl-4-(piperidin-4-ylidenemethyl)-2,3-dihydro-1H-indol-1-ium

1-methanidyl-4-(piperidin-4-ylidenemethyl)-2,3-dihydro-1H-indol-1-ium (PubChem CID 166017076) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-methanidyl-4-(piperidin-4-ylidenemethyl)-2,3-dihydro-1H-indol-1-ium.

Molecular Properties

Compound Name1-methanidyl-4-(piperidin-4-ylidenemethyl)-2,3-dihydro-1H-indol-1-ium
PubChem CID166017076
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1-methanidyl-4-(piperidin-4-ylidenemethyl)-2,3-dihydro-1H-indol-1-ium
SMILES[CH2-][NH+]1CCc2c(C=C3CCNCC3)cccc21
InChIInChI=1S/C15H20N2/c1-17-10-7-14-13(3-2-4-15(14)17)11-12-5-8-16-9-6-12/h2-4,11,16-17H,1,5-10H2
InChIKeyCXCRKPCKAPSBKH-UHFFFAOYSA-N
XLogP1.32
TPSA16.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methanidyl-4-(piperidin-4-ylidenemethyl)-2,3-dihydro-1H-indol-1-ium?
The IUPAC name of 1-methanidyl-4-(piperidin-4-ylidenemethyl)-2,3-dihydro-1H-indol-1-ium (CID 166017076) is 1-methanidyl-4-(piperidin-4-ylidenemethyl)-2,3-dihydro-1H-indol-1-ium.
What is the SMILES notation for 1-methanidyl-4-(piperidin-4-ylidenemethyl)-2,3-dihydro-1H-indol-1-ium?
The canonical SMILES for 1-methanidyl-4-(piperidin-4-ylidenemethyl)-2,3-dihydro-1H-indol-1-ium is [CH2-][NH+]1CCc2c(C=C3CCNCC3)cccc21.
What is the InChIKey of 1-methanidyl-4-(piperidin-4-ylidenemethyl)-2,3-dihydro-1H-indol-1-ium?
The InChIKey is CXCRKPCKAPSBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-17-10-7-14-13(3-2-4-15(14)17)11-12-5-8-16-9-6-12/h2-4,11,16-17H,1,5-10H2.
What are the key properties of 1-methanidyl-4-(piperidin-4-ylidenemethyl)-2,3-dihydro-1H-indol-1-ium?
1-methanidyl-4-(piperidin-4-ylidenemethyl)-2,3-dihydro-1H-indol-1-ium has a molecular weight of 228.34 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyl-4-(piperidin-4-ylidenemethyl)-2,3-dihydro-1H-indol-1-ium is sourced from PubChem (CID 166017076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).