ethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate

C15H30N2O3 — CID 63972958

IUPACethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
SMILESCCNC(CCN1CCC(COC)CC1)C(=O)OCC
InChIInChI=1S/C15H30N2O3/c1-4-16-14(15(18)20-5-2)8-11-17-9-6-13(7-10-17)12-19-3/h13-14,16H,4-12H2,1-3H3
InChIKeyTVSMYPNBAZWCNX-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.28
Rot. Bonds9

About ethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate

ethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate (PubChem CID 63972958) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
PubChem CID63972958
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nameethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
SMILESCCNC(CCN1CCC(COC)CC1)C(=O)OCC
InChIInChI=1S/C15H30N2O3/c1-4-16-14(15(18)20-5-2)8-11-17-9-6-13(7-10-17)12-19-3/h13-14,16H,4-12H2,1-3H3
InChIKeyTVSMYPNBAZWCNX-UHFFFAOYSA-N
XLogP1.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate
CID 63029527
ethyl 2-(ethylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoate
CID 79163894
methyl 2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
CID 63971806
methyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate
CID 63028267
ethyl 2-(cyclopropylamino)-4-(4-ethylpiperidin-1-yl)butanoate
CID 63053623
methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate
CID 63055247
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate
CID 64583946
ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate
CID 83041204
methyl 2-(ethylamino)-4-(3-ethylpiperidin-1-yl)butanoate
CID 63054032
ethyl 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
CID 63274259
ethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate
CID 63027972
methyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate
CID 102966363

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate?
The IUPAC name of ethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate (CID 63972958) is ethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate?
The canonical SMILES for ethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate is CCNC(CCN1CCC(COC)CC1)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate?
The InChIKey is TVSMYPNBAZWCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-4-16-14(15(18)20-5-2)8-11-17-9-6-13(7-10-17)12-19-3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of ethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate?
ethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate has a molecular weight of 286.42 g/mol, XLogP of 1.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate is sourced from PubChem (CID 63972958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).