methyl 4-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate

C17H34N2O2 — CID 62091812

IUPACmethyl 4-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate
SMILESCCNC(C)(CCN1CCC(C(C)(C)C)CC1)C(=O)OC
InChIInChI=1S/C17H34N2O2/c1-7-18-17(5,15(20)21-6)10-13-19-11-8-14(9-12-19)16(2,3)4/h14,18H,7-13H2,1-6H3
InChIKeyYDLBNFDUUGVIRU-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.68
Rot. Bonds6

About methyl 4-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate

methyl 4-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate (PubChem CID 62091812) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is methyl 4-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 4-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate
PubChem CID62091812
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Namemethyl 4-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate
SMILESCCNC(C)(CCN1CCC(C(C)(C)C)CC1)C(=O)OC
InChIInChI=1S/C17H34N2O2/c1-7-18-17(5,15(20)21-6)10-13-19-11-8-14(9-12-19)16(2,3)4/h14,18H,7-13H2,1-6H3
InChIKeyYDLBNFDUUGVIRU-UHFFFAOYSA-N
XLogP2.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 62089716
methyl 2-(ethylamino)-2-methyl-4-(4-methylazepan-1-yl)butanoate
CID 55247668
methyl 2-(ethylamino)-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate
CID 66369800
methyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate
CID 63971026
methyl 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanoate
CID 103502105
methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)butanoate
CID 62973499
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
methyl 2-(ethylamino)-6-(3-methoxypiperidin-1-yl)-2-methylhexanoate
CID 102966583
methyl 2-(ethylamino)-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate
CID 79174254
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanoic acid
CID 63165425
ethyl 2-(ethylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoate
CID 103538059
4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid
CID 65282286

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate?
The IUPAC name of methyl 4-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate (CID 62091812) is methyl 4-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate.
What is the SMILES notation for methyl 4-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate?
The canonical SMILES for methyl 4-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate is CCNC(C)(CCN1CCC(C(C)(C)C)CC1)C(=O)OC.
What is the InChIKey of methyl 4-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate?
The InChIKey is YDLBNFDUUGVIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-7-18-17(5,15(20)21-6)10-13-19-11-8-14(9-12-19)16(2,3)4/h14,18H,7-13H2,1-6H3.
What are the key properties of methyl 4-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate?
methyl 4-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate has a molecular weight of 298.47 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate is sourced from PubChem (CID 62091812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).