(4-hydroxypiperidin-1-yl)methyl-trimethylazanium

C9H21N2O+ — CID 123849575

IUPAC(4-hydroxypiperidin-1-yl)methyl-trimethylazanium
SMILESC[N+](C)(C)CN1CCC(O)CC1
InChIInChI=1S/C9H21N2O/c1-11(2,3)8-10-6-4-9(12)5-7-10/h9,12H,4-8H2,1-3H3/q+1
InChIKeyUMXLTHVIVKMBBI-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.11
Rot. Bonds2

About (4-hydroxypiperidin-1-yl)methyl-trimethylazanium

(4-hydroxypiperidin-1-yl)methyl-trimethylazanium (PubChem CID 123849575) has the molecular formula C9H21N2O+ and a molecular weight of 173.28 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)methyl-trimethylazanium.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)methyl-trimethylazanium
PubChem CID123849575
Molecular FormulaC9H21N2O+
Molecular Weight173.28 g/mol
Exact Mass173.16
IUPAC Name(4-hydroxypiperidin-1-yl)methyl-trimethylazanium
SMILESC[N+](C)(C)CN1CCC(O)CC1
InChIInChI=1S/C9H21N2O/c1-11(2,3)8-10-6-4-9(12)5-7-10/h9,12H,4-8H2,1-3H3/q+1
InChIKeyUMXLTHVIVKMBBI-UHFFFAOYSA-N
XLogP0.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (4-hydroxypiperidin-1-yl)methyl-trimethylazanium 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 (4-hydroxypiperidin-1-yl)methyl-trimethylazanium?
The IUPAC name of (4-hydroxypiperidin-1-yl)methyl-trimethylazanium (CID 123849575) is (4-hydroxypiperidin-1-yl)methyl-trimethylazanium.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)methyl-trimethylazanium?
The canonical SMILES for (4-hydroxypiperidin-1-yl)methyl-trimethylazanium is C[N+](C)(C)CN1CCC(O)CC1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)methyl-trimethylazanium?
The InChIKey is UMXLTHVIVKMBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2O/c1-11(2,3)8-10-6-4-9(12)5-7-10/h9,12H,4-8H2,1-3H3/q+1.
What are the key properties of (4-hydroxypiperidin-1-yl)methyl-trimethylazanium?
(4-hydroxypiperidin-1-yl)methyl-trimethylazanium has a molecular weight of 173.28 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)methyl-trimethylazanium is sourced from PubChem (CID 123849575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).