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

C13H24N2O3 — CID 54889703

IUPACmethyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate
SMILESCOC(=O)C1(NCC2CCCO2)CCN(C)CC1
InChIInChI=1S/C13H24N2O3/c1-15-7-5-13(6-8-15,12(16)17-2)14-10-11-4-3-9-18-11/h11,14H,3-10H2,1-2H3
InChIKeyIAFMXEQOOIMVDW-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.39
Rot. Bonds4

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

methyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate (PubChem CID 54889703) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate
PubChem CID54889703
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate
SMILESCOC(=O)C1(NCC2CCCO2)CCN(C)CC1
InChIInChI=1S/C13H24N2O3/c1-15-7-5-13(6-8-15,12(16)17-2)14-10-11-4-3-9-18-11/h11,14H,3-10H2,1-2H3
InChIKeyIAFMXEQOOIMVDW-UHFFFAOYSA-N
XLogP0.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate?
The IUPAC name of methyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate (CID 54889703) is methyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate is COC(=O)C1(NCC2CCCO2)CCN(C)CC1.
What is the InChIKey of methyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate?
The InChIKey is IAFMXEQOOIMVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-15-7-5-13(6-8-15,12(16)17-2)14-10-11-4-3-9-18-11/h11,14H,3-10H2,1-2H3.
What are the key properties of methyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate?
methyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate is sourced from PubChem (CID 54889703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).