methyl 2-[methyl(piperidin-4-yl)amino]acetate

C9H18N2O2 — CID 22378096

IUPACmethyl 2-[methyl(piperidin-4-yl)amino]acetate
SMILESCOC(=O)CN(C)C1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-11(7-9(12)13-2)8-3-5-10-6-4-8/h8,10H,3-7H2,1-2H3
InChIKeyQUIATCQUBYMWID-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.16
Rot. Bonds3

About methyl 2-[methyl(piperidin-4-yl)amino]acetate

methyl 2-[methyl(piperidin-4-yl)amino]acetate (PubChem CID 22378096) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 2-[methyl(piperidin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl(piperidin-4-yl)amino]acetate
PubChem CID22378096
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl 2-[methyl(piperidin-4-yl)amino]acetate
SMILESCOC(=O)CN(C)C1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-11(7-9(12)13-2)8-3-5-10-6-4-8/h8,10H,3-7H2,1-2H3
InChIKeyQUIATCQUBYMWID-UHFFFAOYSA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(piperidin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[methyl(piperidin-4-yl)amino]acetate (CID 22378096) is methyl 2-[methyl(piperidin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl(piperidin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[methyl(piperidin-4-yl)amino]acetate is COC(=O)CN(C)C1CCNCC1.
What is the InChIKey of methyl 2-[methyl(piperidin-4-yl)amino]acetate?
The InChIKey is QUIATCQUBYMWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-11(7-9(12)13-2)8-3-5-10-6-4-8/h8,10H,3-7H2,1-2H3.
What are the key properties of methyl 2-[methyl(piperidin-4-yl)amino]acetate?
methyl 2-[methyl(piperidin-4-yl)amino]acetate has a molecular weight of 186.25 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(piperidin-4-yl)amino]acetate is sourced from PubChem (CID 22378096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).