5-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid

C16H32N2O2 — CID 62331085

IUPAC5-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
SMILESCC1CCN(CCCC(C)(NC(C)C)C(=O)O)C(C)C1
InChIInChI=1S/C16H32N2O2/c1-12(2)17-16(5,15(19)20)8-6-9-18-10-7-13(3)11-14(18)4/h12-14,17H,6-11H2,1-5H3,(H,19,20)
InChIKeyYAFCKOZPBHCSDR-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.73
Rot. Bonds7

About 5-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid

5-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid (PubChem CID 62331085) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 5-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
PubChem CID62331085
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name5-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
SMILESCC1CCN(CCCC(C)(NC(C)C)C(=O)O)C(C)C1
InChIInChI=1S/C16H32N2O2/c1-12(2)17-16(5,15(19)20)8-6-9-18-10-7-13(3)11-14(18)4/h12-14,17H,6-11H2,1-5H3,(H,19,20)
InChIKeyYAFCKOZPBHCSDR-UHFFFAOYSA-N
XLogP2.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 5-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid (CID 62331085) is 5-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 5-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid is CC1CCN(CCCC(C)(NC(C)C)C(=O)O)C(C)C1.
What is the InChIKey of 5-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The InChIKey is YAFCKOZPBHCSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(2)17-16(5,15(19)20)8-6-9-18-10-7-13(3)11-14(18)4/h12-14,17H,6-11H2,1-5H3,(H,19,20).
What are the key properties of 5-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid?
5-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid has a molecular weight of 284.44 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 62331085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).