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

C13H26N2O2 — CID 2846613

IUPACethyl 2-[methyl-(1-propylpiperidin-4-yl)amino]acetate
SMILESCCCN1CCC(N(C)CC(=O)OCC)CC1
InChIInChI=1S/C13H26N2O2/c1-4-8-15-9-6-12(7-10-15)14(3)11-13(16)17-5-2/h12H,4-11H2,1-3H3
InChIKeyQJKQZJBGHDIDIM-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.36
Rot. Bonds6

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

ethyl 2-[methyl-(1-propylpiperidin-4-yl)amino]acetate (PubChem CID 2846613) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 2-[methyl-(1-propylpiperidin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(1-propylpiperidin-4-yl)amino]acetate
PubChem CID2846613
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl 2-[methyl-(1-propylpiperidin-4-yl)amino]acetate
SMILESCCCN1CCC(N(C)CC(=O)OCC)CC1
InChIInChI=1S/C13H26N2O2/c1-4-8-15-9-6-12(7-10-15)14(3)11-13(16)17-5-2/h12H,4-11H2,1-3H3
InChIKeyQJKQZJBGHDIDIM-UHFFFAOYSA-N
XLogP1.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Glycine, N,N-dipentyl-, ethyl ester
CID 96116
1-Piperidineacetic acid, ethyl ester
CID 643466
1-(2-Ethoxy-2-oxoethyl)-1-ethylpiperidin-1-ium bromide
CID 3048283
1-Piperidineacetic acid, 2-(diethylamino)ethyl ester, dihydrochloride
CID 3053855
2-Piperidin-1-ylethyl acetate
CID 303082
1-(2-Ethoxy-2-oxoethyl)-1-methylpiperidin-1-ium iodide
CID 102357
Piperidinium, 1-(acetoxyethyl)-1-methyl-, iodide
CID 217309
Piperidinium, 1-(2-(2-(diethylmethylammonio)ethoxy)-2-oxoethyl)-1-methyl-, diiodide
CID 3053857
Morpholinium, 4-methyl-4-(2-(((1-methylpiperidinio)acetyl)oxy)ethyl)-, diiodide
CID 3053859
Morpholinium, 4-methyl-4-(2-(2-(1-methylpiperidinio)ethoxy)-2-oxoethyl)-, diiodide
CID 3053865
Methyl (4-amino-1-piperidinyl)acetate dihydrochloride
CID 44120477
Piperidinium, 1-[2-(acetyloxy)ethyl]-1-methyl-
CID 217310

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(1-propylpiperidin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[methyl-(1-propylpiperidin-4-yl)amino]acetate (CID 2846613) is ethyl 2-[methyl-(1-propylpiperidin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-(1-propylpiperidin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl-(1-propylpiperidin-4-yl)amino]acetate is CCCN1CCC(N(C)CC(=O)OCC)CC1.
What is the InChIKey of ethyl 2-[methyl-(1-propylpiperidin-4-yl)amino]acetate?
The InChIKey is QJKQZJBGHDIDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-8-15-9-6-12(7-10-15)14(3)11-13(16)17-5-2/h12H,4-11H2,1-3H3.
What are the key properties of ethyl 2-[methyl-(1-propylpiperidin-4-yl)amino]acetate?
ethyl 2-[methyl-(1-propylpiperidin-4-yl)amino]acetate has a molecular weight of 242.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(1-propylpiperidin-4-yl)amino]acetate is sourced from PubChem (CID 2846613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).