tert-butyl 3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]piperidine-1-carboxylate

C18H34N2O3 — CID 103949408

IUPACtert-butyl 3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]piperidine-1-carboxylate
SMILESC=C(C)COCCNC(C)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H34N2O3/c1-14(2)13-22-11-9-19-15(3)16-8-7-10-20(12-16)17(21)23-18(4,5)6/h15-16,19H,1,7-13H2,2-6H3
InChIKeyUJOKJHIKAQFJCH-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.20
Rot. Bonds7

About tert-butyl 3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]piperidine-1-carboxylate

tert-butyl 3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]piperidine-1-carboxylate (PubChem CID 103949408) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl 3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]piperidine-1-carboxylate
PubChem CID103949408
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl 3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]piperidine-1-carboxylate
SMILESC=C(C)COCCNC(C)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H34N2O3/c1-14(2)13-22-11-9-19-15(3)16-8-7-10-20(12-16)17(21)23-18(4,5)6/h15-16,19H,1,7-13H2,2-6H3
InChIKeyUJOKJHIKAQFJCH-UHFFFAOYSA-N
XLogP3.20
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]piperidine-1-carboxylate 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 tert-butyl 3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]piperidine-1-carboxylate (CID 103949408) is tert-butyl 3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]piperidine-1-carboxylate is C=C(C)COCCNC(C)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]piperidine-1-carboxylate?
The InChIKey is UJOKJHIKAQFJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-14(2)13-22-11-9-19-15(3)16-8-7-10-20(12-16)17(21)23-18(4,5)6/h15-16,19H,1,7-13H2,2-6H3.
What are the key properties of tert-butyl 3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]piperidine-1-carboxylate?
tert-butyl 3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]piperidine-1-carboxylate has a molecular weight of 326.48 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 103949408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).