methyl 3-[ethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate

C14H28N2O2 — CID 62026994

IUPACmethyl 3-[ethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate
SMILESCCN(CCC(=O)OC)CCC1CCCCN1C
InChIInChI=1S/C14H28N2O2/c1-4-16(12-9-14(17)18-3)11-8-13-7-5-6-10-15(13)2/h13H,4-12H2,1-3H3
InChIKeyMMJWBEILBCWCLO-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.75
Rot. Bonds7

About methyl 3-[ethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate

methyl 3-[ethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate (PubChem CID 62026994) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 3-[ethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate
PubChem CID62026994
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 3-[ethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate
SMILESCCN(CCC(=O)OC)CCC1CCCCN1C
InChIInChI=1S/C14H28N2O2/c1-4-16(12-9-14(17)18-3)11-8-13-7-5-6-10-15(13)2/h13H,4-12H2,1-3H3
InChIKeyMMJWBEILBCWCLO-UHFFFAOYSA-N
XLogP1.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate
CID 62012811
methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate
CID 60692147
2-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid
CID 54969053
N'-ethyl-2,2-dimethyl-N'-[2-(1-methylpiperidin-2-yl)ethyl]propane-1,3-diamine
CID 79667623
3-[tert-butyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoic acid
CID 54926001
methyl 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoate
CID 79313620
methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate
CID 51697486
N-(2-bromoethyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine
CID 107913819
methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]butanoate
CID 114283759
2-[2-(1-methylpiperidin-2-yl)ethyl-propylamino]acetonitrile
CID 103766528
methyl 3-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-ethylamino]propanoate
CID 62026607
methyl 3-[[(2S)-1-methylpyrrolidin-2-yl]methylsulfanyl]propanoate
CID 138638056

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate?
The IUPAC name of methyl 3-[ethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate (CID 62026994) is methyl 3-[ethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate is CCN(CCC(=O)OC)CCC1CCCCN1C.
What is the InChIKey of methyl 3-[ethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate?
The InChIKey is MMJWBEILBCWCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-16(12-9-14(17)18-3)11-8-13-7-5-6-10-15(13)2/h13H,4-12H2,1-3H3.
What are the key properties of methyl 3-[ethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate?
methyl 3-[ethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate has a molecular weight of 256.39 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate is sourced from PubChem (CID 62026994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).