(1-pyridin-1-ium-2-ylpiperidin-4-yl)azanium

C10H17N3+2 — CID 42553427

IUPAC(1-pyridin-1-ium-2-ylpiperidin-4-yl)azanium
SMILES[NH3+]C1CCN(c2cccc[nH+]2)CC1
InChIInChI=1S/C10H15N3/c11-9-4-7-13(8-5-9)10-3-1-2-6-12-10/h1-3,6,9H,4-5,7-8,11H2/p+2
InChIKeyCZINLSYKXBADTA-UHFFFAOYSA-P
MW179.27 g/mol
LogP-0.29
Rot. Bonds1

About (1-pyridin-1-ium-2-ylpiperidin-4-yl)azanium

(1-pyridin-1-ium-2-ylpiperidin-4-yl)azanium (PubChem CID 42553427) has the molecular formula C10H17N3+2 and a molecular weight of 179.27 g/mol. Its IUPAC name is (1-pyridin-1-ium-2-ylpiperidin-4-yl)azanium.

Molecular Properties

Compound Name(1-pyridin-1-ium-2-ylpiperidin-4-yl)azanium
PubChem CID42553427
Molecular FormulaC10H17N3+2
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(1-pyridin-1-ium-2-ylpiperidin-4-yl)azanium
SMILES[NH3+]C1CCN(c2cccc[nH+]2)CC1
InChIInChI=1S/C10H15N3/c11-9-4-7-13(8-5-9)10-3-1-2-6-12-10/h1-3,6,9H,4-5,7-8,11H2/p+2
InChIKeyCZINLSYKXBADTA-UHFFFAOYSA-P
XLogP-0.29
TPSA45.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1-pyridin-1-ium-2-ylpiperidin-4-yl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-pyridin-1-ium-2-ylpiperidin-4-yl)azanium?
The IUPAC name of (1-pyridin-1-ium-2-ylpiperidin-4-yl)azanium (CID 42553427) is (1-pyridin-1-ium-2-ylpiperidin-4-yl)azanium.
What is the SMILES notation for (1-pyridin-1-ium-2-ylpiperidin-4-yl)azanium?
The canonical SMILES for (1-pyridin-1-ium-2-ylpiperidin-4-yl)azanium is [NH3+]C1CCN(c2cccc[nH+]2)CC1.
What is the InChIKey of (1-pyridin-1-ium-2-ylpiperidin-4-yl)azanium?
The InChIKey is CZINLSYKXBADTA-UHFFFAOYSA-P. The full InChI is InChI=1S/C10H15N3/c11-9-4-7-13(8-5-9)10-3-1-2-6-12-10/h1-3,6,9H,4-5,7-8,11H2/p+2.
What are the key properties of (1-pyridin-1-ium-2-ylpiperidin-4-yl)azanium?
(1-pyridin-1-ium-2-ylpiperidin-4-yl)azanium has a molecular weight of 179.27 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyridin-1-ium-2-ylpiperidin-4-yl)azanium is sourced from PubChem (CID 42553427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).