ethyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate

C14H26N2O3 — CID 54890330

IUPACethyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate
SMILESCCOC(=O)C1(NCC2CCCO2)CCN(C)CC1
InChIInChI=1S/C14H26N2O3/c1-3-18-13(17)14(6-8-16(2)9-7-14)15-11-12-5-4-10-19-12/h12,15H,3-11H2,1-2H3
InChIKeyREZCLDBIFYDYTI-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.78
Rot. Bonds5

About ethyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate

ethyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate (PubChem CID 54890330) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate
PubChem CID54890330
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate
SMILESCCOC(=O)C1(NCC2CCCO2)CCN(C)CC1
InChIInChI=1S/C14H26N2O3/c1-3-18-13(17)14(6-8-16(2)9-7-14)15-11-12-5-4-10-19-12/h12,15H,3-11H2,1-2H3
InChIKeyREZCLDBIFYDYTI-UHFFFAOYSA-N
XLogP0.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-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 ethyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate (CID 54890330) is ethyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate is CCOC(=O)C1(NCC2CCCO2)CCN(C)CC1.
What is the InChIKey of ethyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate?
The InChIKey is REZCLDBIFYDYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-18-13(17)14(6-8-16(2)9-7-14)15-11-12-5-4-10-19-12/h12,15H,3-11H2,1-2H3.
What are the key properties of ethyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate?
ethyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate is sourced from PubChem (CID 54890330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).