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

C14H26N2O3 — CID 54889702

IUPACmethyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate
SMILESCCN1CCC(NCC2CCCO2)(C(=O)OC)CC1
InChIInChI=1S/C14H26N2O3/c1-3-16-8-6-14(7-9-16,13(17)18-2)15-11-12-5-4-10-19-12/h12,15H,3-11H2,1-2H3
InChIKeyLBAJLLWLPRNZNO-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.78
Rot. Bonds5

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

methyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate (PubChem CID 54889702) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate
PubChem CID54889702
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate
SMILESCCN1CCC(NCC2CCCO2)(C(=O)OC)CC1
InChIInChI=1S/C14H26N2O3/c1-3-16-8-6-14(7-9-16,13(17)18-2)15-11-12-5-4-10-19-12/h12,15H,3-11H2,1-2H3
InChIKeyLBAJLLWLPRNZNO-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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate?
The IUPAC name of methyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate (CID 54889702) is methyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate is CCN1CCC(NCC2CCCO2)(C(=O)OC)CC1.
What is the InChIKey of methyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate?
The InChIKey is LBAJLLWLPRNZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-16-8-6-14(7-9-16,13(17)18-2)15-11-12-5-4-10-19-12/h12,15H,3-11H2,1-2H3.
What are the key properties of methyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate?
methyl 1-ethyl-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 methyl 1-ethyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate is sourced from PubChem (CID 54889702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).