ethyl 2-(piperidin-3-ylmethylamino)acetate

C10H20N2O2 — CID 80554026

IUPACethyl 2-(piperidin-3-ylmethylamino)acetate
SMILESCCOC(=O)CNCC1CCCNC1
InChIInChI=1S/C10H20N2O2/c1-2-14-10(13)8-12-7-9-4-3-5-11-6-9/h9,11-12H,2-8H2,1H3
InChIKeyPDIZKOSZYXJXLL-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.14
Rot. Bonds5

About ethyl 2-(piperidin-3-ylmethylamino)acetate

ethyl 2-(piperidin-3-ylmethylamino)acetate (PubChem CID 80554026) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 2-(piperidin-3-ylmethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(piperidin-3-ylmethylamino)acetate
PubChem CID80554026
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nameethyl 2-(piperidin-3-ylmethylamino)acetate
SMILESCCOC(=O)CNCC1CCCNC1
InChIInChI=1S/C10H20N2O2/c1-2-14-10(13)8-12-7-9-4-3-5-11-6-9/h9,11-12H,2-8H2,1H3
InChIKeyPDIZKOSZYXJXLL-UHFFFAOYSA-N
XLogP0.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[(3S)-pyrrolidin-3-yl]methylamino]acetate;dihydrochloride
CID 86598225
ethyl 2-[(3S)-piperidin-3-yl]acetate
CID 7016849
ethyl 2-(azocan-5-yl)acetate
CID 123423074
ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate
CID 55025429
N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 86317945
ethyl N-(piperidin-3-ylmethylsulfamoyl)carbamate
CID 114463214
methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
methyl 3-piperidin-3-ylpropanoate;hydrochloride
CID 47000746
2-ethoxyethyl 2-piperidin-3-ylacetate
CID 62690313
ethyl 2-[cyclobutyl(piperidin-3-ylmethyl)amino]acetate
CID 120850265
N-cyclopropyl-2-(piperidin-3-ylmethylamino)acetamide
CID 80553600
ethyl 2-[[2-(azetidin-3-yl)acetyl]amino]acetate
CID 64618961

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(piperidin-3-ylmethylamino)acetate?
The IUPAC name of ethyl 2-(piperidin-3-ylmethylamino)acetate (CID 80554026) is ethyl 2-(piperidin-3-ylmethylamino)acetate.
What is the SMILES notation for ethyl 2-(piperidin-3-ylmethylamino)acetate?
The canonical SMILES for ethyl 2-(piperidin-3-ylmethylamino)acetate is CCOC(=O)CNCC1CCCNC1.
What is the InChIKey of ethyl 2-(piperidin-3-ylmethylamino)acetate?
The InChIKey is PDIZKOSZYXJXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-14-10(13)8-12-7-9-4-3-5-11-6-9/h9,11-12H,2-8H2,1H3.
What are the key properties of ethyl 2-(piperidin-3-ylmethylamino)acetate?
ethyl 2-(piperidin-3-ylmethylamino)acetate has a molecular weight of 200.28 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(piperidin-3-ylmethylamino)acetate is sourced from PubChem (CID 80554026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).