2-tert-butylpiperidine;sulfuric acid

C9H21NO4S — CID 175316087

IUPAC2-tert-butylpiperidine;sulfuric acid
SMILESCC(C)(C)C1CCCCN1.O=S(=O)(O)O
InChIInChI=1S/C9H19N.H2O4S/c1-9(2,3)8-6-4-5-7-10-8;1-5(2,3)4/h8,10H,4-7H2,1-3H3;(H2,1,2,3,4)
InChIKeyHXTIODBCLYEVKN-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.52
Rot. Bonds

About 2-tert-butylpiperidine;sulfuric acid

2-tert-butylpiperidine;sulfuric acid (PubChem CID 175316087) has the molecular formula C9H21NO4S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-tert-butylpiperidine;sulfuric acid.

Molecular Properties

Compound Name2-tert-butylpiperidine;sulfuric acid
PubChem CID175316087
Molecular FormulaC9H21NO4S
Molecular Weight239.34 g/mol
Exact Mass239.12
IUPAC Name2-tert-butylpiperidine;sulfuric acid
SMILESCC(C)(C)C1CCCCN1.O=S(=O)(O)O
InChIInChI=1S/C9H19N.H2O4S/c1-9(2,3)8-6-4-5-7-10-8;1-5(2,3)4/h8,10H,4-7H2,1-3H3;(H2,1,2,3,4)
InChIKeyHXTIODBCLYEVKN-UHFFFAOYSA-N
XLogP1.52
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-tert-butylpiperidine;sulfuric acid with MolForge

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

Launch Full Analysis

Related Compounds

2-tert-butylpyrrolidine;methane
CID 174978961
2-tert-butylpyrrolidine;2-methylpropane
CID 143359861
2-piperidin-2-ylpropan-2-amine
CID 55284786
N,2-dimethyl-2-[(2S)-piperidin-2-yl]propanamide
CID 99980842
2-[(2R)-pyrrolidin-2-yl]propan-2-ol
CID 12732175
2-(2-methylbutan-2-yl)piperidine
CID 118553273
tert-butylcyclobutane;bis(tert-butylcyclohexane);2-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine
CID 164979916
[2-methyl-2-[(2R)-piperidin-2-yl]propanoyl] 2,2-dimethylpropanoate
CID 174505516
1,1,1-triamino-3-(azocan-2-yl)-2-methylbutane-2,3-diol
CID 142662822
2-piperidin-2-ylpropan-2-yl formate
CID 18700209
1-(azetidin-3-yl)-1-piperidin-2-ylethanol
CID 131162758
2-(1-cyclopentyl-1-fluoroethyl)piperidine
CID 105452461

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylpiperidine;sulfuric acid?
The IUPAC name of 2-tert-butylpiperidine;sulfuric acid (CID 175316087) is 2-tert-butylpiperidine;sulfuric acid.
What is the SMILES notation for 2-tert-butylpiperidine;sulfuric acid?
The canonical SMILES for 2-tert-butylpiperidine;sulfuric acid is CC(C)(C)C1CCCCN1.O=S(=O)(O)O.
What is the InChIKey of 2-tert-butylpiperidine;sulfuric acid?
The InChIKey is HXTIODBCLYEVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.H2O4S/c1-9(2,3)8-6-4-5-7-10-8;1-5(2,3)4/h8,10H,4-7H2,1-3H3;(H2,1,2,3,4).
What are the key properties of 2-tert-butylpiperidine;sulfuric acid?
2-tert-butylpiperidine;sulfuric acid has a molecular weight of 239.34 g/mol, XLogP of 1.52, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylpiperidine;sulfuric acid is sourced from PubChem (CID 175316087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).