methyl 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate

C16H32N2O2 — CID 62089716

IUPACmethyl 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
SMILESCNC(C)(CCN1CCC(C(C)(C)C)CC1)C(=O)OC
InChIInChI=1S/C16H32N2O2/c1-15(2,3)13-7-10-18(11-8-13)12-9-16(4,17-5)14(19)20-6/h13,17H,7-12H2,1-6H3
InChIKeyLGSASLUQAJJASH-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.29
Rot. Bonds5

About methyl 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate

methyl 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate (PubChem CID 62089716) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is methyl 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
PubChem CID62089716
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Namemethyl 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
SMILESCNC(C)(CCN1CCC(C(C)(C)C)CC1)C(=O)OC
InChIInChI=1S/C16H32N2O2/c1-15(2,3)13-7-10-18(11-8-13)12-9-16(4,17-5)14(19)20-6/h13,17H,7-12H2,1-6H3
InChIKeyLGSASLUQAJJASH-UHFFFAOYSA-N
XLogP2.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate?
The IUPAC name of methyl 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate (CID 62089716) is methyl 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate.
What is the SMILES notation for methyl 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate?
The canonical SMILES for methyl 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate is CNC(C)(CCN1CCC(C(C)(C)C)CC1)C(=O)OC.
What is the InChIKey of methyl 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate?
The InChIKey is LGSASLUQAJJASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-15(2,3)13-7-10-18(11-8-13)12-9-16(4,17-5)14(19)20-6/h13,17H,7-12H2,1-6H3.
What are the key properties of methyl 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate?
methyl 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate has a molecular weight of 284.44 g/mol, XLogP of 2.29, 5 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-methyl-2-(methylamino)butanoate is sourced from PubChem (CID 62089716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).