3-(1H-indol-2-yl)piperidine-2,2,5-triamine

C13H19N5 — CID 151410944

IUPAC3-(1H-indol-2-yl)piperidine-2,2,5-triamine
SMILESNC1CNC(N)(N)C(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C13H19N5/c14-9-6-10(13(15,16)17-7-9)12-5-8-3-1-2-4-11(8)18-12/h1-5,9-10,17-18H,6-7,14-16H2
InChIKeyOYMXJYHPPYZVCT-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.14
Rot. Bonds1

About 3-(1H-indol-2-yl)piperidine-2,2,5-triamine

3-(1H-indol-2-yl)piperidine-2,2,5-triamine (PubChem CID 151410944) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-(1H-indol-2-yl)piperidine-2,2,5-triamine.

Molecular Properties

Compound Name3-(1H-indol-2-yl)piperidine-2,2,5-triamine
PubChem CID151410944
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-(1H-indol-2-yl)piperidine-2,2,5-triamine
SMILESNC1CNC(N)(N)C(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C13H19N5/c14-9-6-10(13(15,16)17-7-9)12-5-8-3-1-2-4-11(8)18-12/h1-5,9-10,17-18H,6-7,14-16H2
InChIKeyOYMXJYHPPYZVCT-UHFFFAOYSA-N
XLogP0.14
TPSA105.88 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-yl)piperidine-2,2,5-triamine?
The IUPAC name of 3-(1H-indol-2-yl)piperidine-2,2,5-triamine (CID 151410944) is 3-(1H-indol-2-yl)piperidine-2,2,5-triamine.
What is the SMILES notation for 3-(1H-indol-2-yl)piperidine-2,2,5-triamine?
The canonical SMILES for 3-(1H-indol-2-yl)piperidine-2,2,5-triamine is NC1CNC(N)(N)C(c2cc3ccccc3[nH]2)C1.
What is the InChIKey of 3-(1H-indol-2-yl)piperidine-2,2,5-triamine?
The InChIKey is OYMXJYHPPYZVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c14-9-6-10(13(15,16)17-7-9)12-5-8-3-1-2-4-11(8)18-12/h1-5,9-10,17-18H,6-7,14-16H2.
What are the key properties of 3-(1H-indol-2-yl)piperidine-2,2,5-triamine?
3-(1H-indol-2-yl)piperidine-2,2,5-triamine has a molecular weight of 245.33 g/mol, XLogP of 0.14, 1 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-yl)piperidine-2,2,5-triamine is sourced from PubChem (CID 151410944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).