4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid

C16H32N2O2 — CID 64704730

IUPAC4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
SMILESCNC(C)(CC(C)N1CCC(C(C)(C)C)CC1)C(=O)O
InChIInChI=1S/C16H32N2O2/c1-12(11-16(5,17-6)14(19)20)18-9-7-13(8-10-18)15(2,3)4/h12-13,17H,7-11H2,1-6H3,(H,19,20)
InChIKeyMSRCJEIGRYENQY-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.59
Rot. Bonds5

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

4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid (PubChem CID 64704730) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
PubChem CID64704730
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
SMILESCNC(C)(CC(C)N1CCC(C(C)(C)C)CC1)C(=O)O
InChIInChI=1S/C16H32N2O2/c1-12(11-16(5,17-6)14(19)20)18-9-7-13(8-10-18)15(2,3)4/h12-13,17H,7-11H2,1-6H3,(H,19,20)
InChIKeyMSRCJEIGRYENQY-UHFFFAOYSA-N
XLogP2.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
The IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid (CID 64704730) is 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid is CNC(C)(CC(C)N1CCC(C(C)(C)C)CC1)C(=O)O.
What is the InChIKey of 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
The InChIKey is MSRCJEIGRYENQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(11-16(5,17-6)14(19)20)18-9-7-13(8-10-18)15(2,3)4/h12-13,17H,7-11H2,1-6H3,(H,19,20).
What are the key properties of 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid has a molecular weight of 284.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 64704730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).