methyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate

C14H28N2O3 — CID 102966363

IUPACmethyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate
SMILESCCNC(CCN1CCC(C)C(OC)C1)C(=O)OC
InChIInChI=1S/C14H28N2O3/c1-5-15-12(14(17)19-4)7-9-16-8-6-11(2)13(10-16)18-3/h11-13,15H,5-10H2,1-4H3
InChIKeyRAHIKGQWBDZSBG-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.88
Rot. Bonds7

About methyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate

methyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate (PubChem CID 102966363) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is methyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate
PubChem CID102966363
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Namemethyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate
SMILESCCNC(CCN1CCC(C)C(OC)C1)C(=O)OC
InChIInChI=1S/C14H28N2O3/c1-5-15-12(14(17)19-4)7-9-16-8-6-11(2)13(10-16)18-3/h11-13,15H,5-10H2,1-4H3
InChIKeyRAHIKGQWBDZSBG-UHFFFAOYSA-N
XLogP0.88
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Aminopropan-2-yl piperidine-4-carboxylate dihydrochloride
CID 42962517
Butyl 4-aminopiperidine-4-carboxylate
CID 3044669
Pentyl 4-aminopiperidine-4-carboxylate
CID 3044671
(3R)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methyl-L-valine
CID 137348121
methyl (2S)-3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butanoate
CID 43776159
Methyl 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
CID 54892519
Methyl 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
CID 54892758
Methyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
CID 54892848
Ethyl 1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
CID 54893090
Ethyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
CID 54893135
Methyl 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
CID 54893179
Methyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butanoate
CID 60781577

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate?
The IUPAC name of methyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate (CID 102966363) is methyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate.
What is the SMILES notation for methyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate?
The canonical SMILES for methyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate is CCNC(CCN1CCC(C)C(OC)C1)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate?
The InChIKey is RAHIKGQWBDZSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-15-12(14(17)19-4)7-9-16-8-6-11(2)13(10-16)18-3/h11-13,15H,5-10H2,1-4H3.
What are the key properties of methyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate?
methyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate has a molecular weight of 272.39 g/mol, XLogP of 0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate is sourced from PubChem (CID 102966363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).