methyl 1-[2-(1-methylpiperidin-4-yl)ethyl]azetidine-2-carboxylate

C13H24N2O2 — CID 114517132

IUPACmethyl 1-[2-(1-methylpiperidin-4-yl)ethyl]azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1CCC1CCN(C)CC1
InChIInChI=1S/C13H24N2O2/c1-14-7-3-11(4-8-14)5-9-15-10-6-12(15)13(16)17-2/h11-12H,3-10H2,1-2H3
InChIKeyRTEZLXMMZQPLBJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.97
Rot. Bonds4

About methyl 1-[2-(1-methylpiperidin-4-yl)ethyl]azetidine-2-carboxylate

methyl 1-[2-(1-methylpiperidin-4-yl)ethyl]azetidine-2-carboxylate (PubChem CID 114517132) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl 1-[2-(1-methylpiperidin-4-yl)ethyl]azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(1-methylpiperidin-4-yl)ethyl]azetidine-2-carboxylate
PubChem CID114517132
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namemethyl 1-[2-(1-methylpiperidin-4-yl)ethyl]azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1CCC1CCN(C)CC1
InChIInChI=1S/C13H24N2O2/c1-14-7-3-11(4-8-14)5-9-15-10-6-12(15)13(16)17-2/h11-12H,3-10H2,1-2H3
InChIKeyRTEZLXMMZQPLBJ-UHFFFAOYSA-N
XLogP0.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-methylsulfonylethyl)azetidine-2-carboxylate
CID 112581234
methyl 1-(cyclopentylmethyl)azetidine-2-carboxylate
CID 112581184
methyl 1-(cyclobutylmethyl)azetidine-2-carboxylate
CID 112581178
methyl 1-(2-sulfamoylethyl)azetidine-2-carboxylate
CID 112581200
methyl 1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine-2-carboxylate
CID 112581477
methyl 1-(2-cyclopropylethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 112632988
methyl 1-(2-phenylethyl)azetidine-2-carboxylate
CID 4196688
methyl 1-(4-propan-2-yloxybutyl)azetidine-2-carboxylate
CID 106003667
methyl (2R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylate
CID 80711675
methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate
CID 121475348
methyl 1-(2-pyrazol-1-ylethyl)azetidine-2-carboxylate
CID 112581379
methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
CID 80602594

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(1-methylpiperidin-4-yl)ethyl]azetidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(1-methylpiperidin-4-yl)ethyl]azetidine-2-carboxylate (CID 114517132) is methyl 1-[2-(1-methylpiperidin-4-yl)ethyl]azetidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(1-methylpiperidin-4-yl)ethyl]azetidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(1-methylpiperidin-4-yl)ethyl]azetidine-2-carboxylate is COC(=O)C1CCN1CCC1CCN(C)CC1.
What is the InChIKey of methyl 1-[2-(1-methylpiperidin-4-yl)ethyl]azetidine-2-carboxylate?
The InChIKey is RTEZLXMMZQPLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-14-7-3-11(4-8-14)5-9-15-10-6-12(15)13(16)17-2/h11-12H,3-10H2,1-2H3.
What are the key properties of methyl 1-[2-(1-methylpiperidin-4-yl)ethyl]azetidine-2-carboxylate?
methyl 1-[2-(1-methylpiperidin-4-yl)ethyl]azetidine-2-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(1-methylpiperidin-4-yl)ethyl]azetidine-2-carboxylate is sourced from PubChem (CID 114517132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).