methyl 2-(ethylamino)-6-(3-methoxypiperidin-1-yl)-2-methylhexanoate

C16H32N2O3 — CID 102966583

IUPACmethyl 2-(ethylamino)-6-(3-methoxypiperidin-1-yl)-2-methylhexanoate
SMILESCCNC(C)(CCCCN1CCCC(OC)C1)C(=O)OC
InChIInChI=1S/C16H32N2O3/c1-5-17-16(2,15(19)21-4)10-6-7-11-18-12-8-9-14(13-18)20-3/h14,17H,5-13H2,1-4H3
InChIKeyVJDXXWIOLAUBRA-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.81
Rot. Bonds9

About methyl 2-(ethylamino)-6-(3-methoxypiperidin-1-yl)-2-methylhexanoate

methyl 2-(ethylamino)-6-(3-methoxypiperidin-1-yl)-2-methylhexanoate (PubChem CID 102966583) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is methyl 2-(ethylamino)-6-(3-methoxypiperidin-1-yl)-2-methylhexanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-6-(3-methoxypiperidin-1-yl)-2-methylhexanoate
PubChem CID102966583
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Namemethyl 2-(ethylamino)-6-(3-methoxypiperidin-1-yl)-2-methylhexanoate
SMILESCCNC(C)(CCCCN1CCCC(OC)C1)C(=O)OC
InChIInChI=1S/C16H32N2O3/c1-5-17-16(2,15(19)21-4)10-6-7-11-18-12-8-9-14(13-18)20-3/h14,17H,5-13H2,1-4H3
InChIKeyVJDXXWIOLAUBRA-UHFFFAOYSA-N
XLogP1.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(ethylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoate
CID 103538059
6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide
CID 102966457
2-(ethylamino)-5-(3-methoxypiperidin-1-yl)-2-methylpentan-1-ol
CID 102968965
5-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 102966510
2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid
CID 106588684
2-(cyclopropylamino)-5-(3-methoxypiperidin-1-yl)-2-methylpentanamide
CID 102966587
6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 102968939
methyl 2-(ethylamino)-2-methyl-4-(4-methylazepan-1-yl)butanoate
CID 55247668
methyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate
CID 63971026
methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)butanoate
CID 62973499
methyl 2-(ethylamino)-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate
CID 66369800
2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoic acid
CID 103537944

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-6-(3-methoxypiperidin-1-yl)-2-methylhexanoate?
The IUPAC name of methyl 2-(ethylamino)-6-(3-methoxypiperidin-1-yl)-2-methylhexanoate (CID 102966583) is methyl 2-(ethylamino)-6-(3-methoxypiperidin-1-yl)-2-methylhexanoate.
What is the SMILES notation for methyl 2-(ethylamino)-6-(3-methoxypiperidin-1-yl)-2-methylhexanoate?
The canonical SMILES for methyl 2-(ethylamino)-6-(3-methoxypiperidin-1-yl)-2-methylhexanoate is CCNC(C)(CCCCN1CCCC(OC)C1)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-6-(3-methoxypiperidin-1-yl)-2-methylhexanoate?
The InChIKey is VJDXXWIOLAUBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-5-17-16(2,15(19)21-4)10-6-7-11-18-12-8-9-14(13-18)20-3/h14,17H,5-13H2,1-4H3.
What are the key properties of methyl 2-(ethylamino)-6-(3-methoxypiperidin-1-yl)-2-methylhexanoate?
methyl 2-(ethylamino)-6-(3-methoxypiperidin-1-yl)-2-methylhexanoate has a molecular weight of 300.44 g/mol, XLogP of 1.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-6-(3-methoxypiperidin-1-yl)-2-methylhexanoate is sourced from PubChem (CID 102966583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).