methyl 4-[methyl(piperidin-4-yl)amino]butanoate

C11H22N2O2 — CID 20735419

IUPACmethyl 4-[methyl(piperidin-4-yl)amino]butanoate
SMILESCOC(=O)CCCN(C)C1CCNCC1
InChIInChI=1S/C11H22N2O2/c1-13(9-3-4-11(14)15-2)10-5-7-12-8-6-10/h10,12H,3-9H2,1-2H3
InChIKeyWFYXWJWWPQYVJI-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds5

About methyl 4-[methyl(piperidin-4-yl)amino]butanoate

methyl 4-[methyl(piperidin-4-yl)amino]butanoate (PubChem CID 20735419) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 4-[methyl(piperidin-4-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(piperidin-4-yl)amino]butanoate
PubChem CID20735419
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 4-[methyl(piperidin-4-yl)amino]butanoate
SMILESCOC(=O)CCCN(C)C1CCNCC1
InChIInChI=1S/C11H22N2O2/c1-13(9-3-4-11(14)15-2)10-5-7-12-8-6-10/h10,12H,3-9H2,1-2H3
InChIKeyWFYXWJWWPQYVJI-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(piperidin-4-yl)amino]butanoate?
The IUPAC name of methyl 4-[methyl(piperidin-4-yl)amino]butanoate (CID 20735419) is methyl 4-[methyl(piperidin-4-yl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl(piperidin-4-yl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl(piperidin-4-yl)amino]butanoate is COC(=O)CCCN(C)C1CCNCC1.
What is the InChIKey of methyl 4-[methyl(piperidin-4-yl)amino]butanoate?
The InChIKey is WFYXWJWWPQYVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-13(9-3-4-11(14)15-2)10-5-7-12-8-6-10/h10,12H,3-9H2,1-2H3.
What are the key properties of methyl 4-[methyl(piperidin-4-yl)amino]butanoate?
methyl 4-[methyl(piperidin-4-yl)amino]butanoate has a molecular weight of 214.31 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(piperidin-4-yl)amino]butanoate is sourced from PubChem (CID 20735419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).