ethyl 2-[(1-methylpiperidin-4-yl)amino]acetate

C10H20N2O2 — CID 43216275

IUPACethyl 2-[(1-methylpiperidin-4-yl)amino]acetate
SMILESCCOC(=O)CNC1CCN(C)CC1
InChIInChI=1S/C10H20N2O2/c1-3-14-10(13)8-11-9-4-6-12(2)7-5-9/h9,11H,3-8H2,1-2H3
InChIKeyBISBKULTVUHEMC-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.23
Rot. Bonds4

About ethyl 2-[(1-methylpiperidin-4-yl)amino]acetate

ethyl 2-[(1-methylpiperidin-4-yl)amino]acetate (PubChem CID 43216275) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 2-[(1-methylpiperidin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-methylpiperidin-4-yl)amino]acetate
PubChem CID43216275
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nameethyl 2-[(1-methylpiperidin-4-yl)amino]acetate
SMILESCCOC(=O)CNC1CCN(C)CC1
InChIInChI=1S/C10H20N2O2/c1-3-14-10(13)8-11-9-4-6-12(2)7-5-9/h9,11H,3-8H2,1-2H3
InChIKeyBISBKULTVUHEMC-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methylpiperidin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[(1-methylpiperidin-4-yl)amino]acetate (CID 43216275) is ethyl 2-[(1-methylpiperidin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(1-methylpiperidin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(1-methylpiperidin-4-yl)amino]acetate is CCOC(=O)CNC1CCN(C)CC1.
What is the InChIKey of ethyl 2-[(1-methylpiperidin-4-yl)amino]acetate?
The InChIKey is BISBKULTVUHEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-14-10(13)8-11-9-4-6-12(2)7-5-9/h9,11H,3-8H2,1-2H3.
What are the key properties of ethyl 2-[(1-methylpiperidin-4-yl)amino]acetate?
ethyl 2-[(1-methylpiperidin-4-yl)amino]acetate has a molecular weight of 200.28 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methylpiperidin-4-yl)amino]acetate is sourced from PubChem (CID 43216275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).