[2-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-(2-methylbutyl)azanium

C17H38N3O+ — CID 20730080

IUPAC[2-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-(2-methylbutyl)azanium
SMILESCCC(C)C[NH2+]CC(O)NC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C17H37N3O/c1-8-13(2)11-18-12-15(21)19-14-9-16(3,4)20(7)17(5,6)10-14/h13-15,18-19,21H,8-12H2,1-7H3/p+1
InChIKeyAWJPGGCKSWYUCR-UHFFFAOYSA-O
MW300.51 g/mol
LogP1.16
Rot. Bonds7

About [2-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-(2-methylbutyl)azanium

[2-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-(2-methylbutyl)azanium (PubChem CID 20730080) has the molecular formula C17H38N3O+ and a molecular weight of 300.51 g/mol. Its IUPAC name is [2-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-(2-methylbutyl)azanium.

Molecular Properties

Compound Name[2-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-(2-methylbutyl)azanium
PubChem CID20730080
Molecular FormulaC17H38N3O+
Molecular Weight300.51 g/mol
Exact Mass300.30
IUPAC Name[2-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-(2-methylbutyl)azanium
SMILESCCC(C)C[NH2+]CC(O)NC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C17H37N3O/c1-8-13(2)11-18-12-15(21)19-14-9-16(3,4)20(7)17(5,6)10-14/h13-15,18-19,21H,8-12H2,1-7H3/p+1
InChIKeyAWJPGGCKSWYUCR-UHFFFAOYSA-O
XLogP1.16
TPSA52.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-(2-methylbutyl)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 [2-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-(2-methylbutyl)azanium?
The IUPAC name of [2-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-(2-methylbutyl)azanium (CID 20730080) is [2-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-(2-methylbutyl)azanium.
What is the SMILES notation for [2-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-(2-methylbutyl)azanium?
The canonical SMILES for [2-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-(2-methylbutyl)azanium is CCC(C)C[NH2+]CC(O)NC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of [2-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-(2-methylbutyl)azanium?
The InChIKey is AWJPGGCKSWYUCR-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H37N3O/c1-8-13(2)11-18-12-15(21)19-14-9-16(3,4)20(7)17(5,6)10-14/h13-15,18-19,21H,8-12H2,1-7H3/p+1.
What are the key properties of [2-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-(2-methylbutyl)azanium?
[2-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-(2-methylbutyl)azanium has a molecular weight of 300.51 g/mol, XLogP of 1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-(2-methylbutyl)azanium is sourced from PubChem (CID 20730080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).