propyl piperidine-1-carboperoxoate

C9H17NO3 — CID 140533006

IUPACpropyl piperidine-1-carboperoxoate
SMILESCCCOOC(=O)N1CCCCC1
InChIInChI=1S/C9H17NO3/c1-2-8-12-13-9(11)10-6-4-3-5-7-10/h2-8H2,1H3
InChIKeyGXCKVXDYPUFQJY-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.95
Rot. Bonds3

About propyl piperidine-1-carboperoxoate

propyl piperidine-1-carboperoxoate (PubChem CID 140533006) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is propyl piperidine-1-carboperoxoate.

Molecular Properties

Compound Namepropyl piperidine-1-carboperoxoate
PubChem CID140533006
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namepropyl piperidine-1-carboperoxoate
SMILESCCCOOC(=O)N1CCCCC1
InChIInChI=1S/C9H17NO3/c1-2-8-12-13-9(11)10-6-4-3-5-7-10/h2-8H2,1H3
InChIKeyGXCKVXDYPUFQJY-UHFFFAOYSA-N
XLogP1.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze propyl piperidine-1-carboperoxoate 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

propyl azepane-1-carboxylate
CID 91585333
tert-butyl 3-(piperidine-1-carbonylperoxy)propanoate
CID 170760426
ethyl azacycloundecane-1-carboxylate
CID 67670496
1-fluorobutyl piperidine-1-carboxylate
CID 68735520
propanoyl piperidine-1-carboxylate
CID 142786690
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
[2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate
CID 121305988
2-(2-chloroethoxy)ethyl azepane-1-carboxylate
CID 103970627
ethyl azetidine-1-carboxylate
CID 14088501
2-aminoethyl piperidine-1-carboxylate
CID 58684414
cyclopropylmethyl azetidine-1-carboperoxoate
CID 140776704
piperidine-1-carboperoxoic acid
CID 18434275

Frequently Asked Questions

What is the IUPAC name of propyl piperidine-1-carboperoxoate?
The IUPAC name of propyl piperidine-1-carboperoxoate (CID 140533006) is propyl piperidine-1-carboperoxoate.
What is the SMILES notation for propyl piperidine-1-carboperoxoate?
The canonical SMILES for propyl piperidine-1-carboperoxoate is CCCOOC(=O)N1CCCCC1.
What is the InChIKey of propyl piperidine-1-carboperoxoate?
The InChIKey is GXCKVXDYPUFQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-8-12-13-9(11)10-6-4-3-5-7-10/h2-8H2,1H3.
What are the key properties of propyl piperidine-1-carboperoxoate?
propyl piperidine-1-carboperoxoate has a molecular weight of 187.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl piperidine-1-carboperoxoate is sourced from PubChem (CID 140533006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).