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

C14H28N2O2 — CID 62012811

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

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

ethyl 3-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate (PubChem CID 62012811) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethyl 3-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate
PubChem CID62012811
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nameethyl 3-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate
SMILESCCOC(=O)CCN(C)CCC1CCCCN1C
InChIInChI=1S/C14H28N2O2/c1-4-18-14(17)9-12-15(2)11-8-13-7-5-6-10-16(13)3/h13H,4-12H2,1-3H3
InChIKeyLTEQOAQDFXQKQC-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-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate
CID 79314533
N'-methyl-N'-[2-(1-methylpiperidin-2-yl)ethyl]ethane-1,2-diamine
CID 62688458
methyl 3-[ethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate
CID 62026994
2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-propylacetamide
CID 78823735
ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
CID 62011437
ethyl (3R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboxylate
CID 81338983
ethyl 2,2-dimethyl-4-(1-methylpiperidin-2-yl)butanoate;hydrochloride
CID 134117967
ethyl 3-[cyclooctanecarbonyl(methyl)amino]propanoate
CID 65023078
ethyl 6-(2-propylpiperidin-1-yl)hexanoate
CID 83055887
(2S)-2-amino-N,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide
CID 119894084
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 107911250
(2S)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 119894086

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate?
The IUPAC name of ethyl 3-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate (CID 62012811) is ethyl 3-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate?
The canonical SMILES for ethyl 3-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate is CCOC(=O)CCN(C)CCC1CCCCN1C.
What is the InChIKey of ethyl 3-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate?
The InChIKey is LTEQOAQDFXQKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-18-14(17)9-12-15(2)11-8-13-7-5-6-10-16(13)3/h13H,4-12H2,1-3H3.
What are the key properties of ethyl 3-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate?
ethyl 3-[methyl-[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 ethyl 3-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate is sourced from PubChem (CID 62012811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).