4-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

C13H24N2O4 — CID 84809859

IUPAC4-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCN(C)C1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O4/c1-12(2,3)19-11(18)15-8-6-13(7-9-15,10(16)17)14(4)5/h6-9H2,1-5H3,(H,16,17)
InChIKeyLCUWMCKCMABXON-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.40
Rot. Bonds2

About 4-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

4-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (PubChem CID 84809859) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
PubChem CID84809859
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name4-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCN(C)C1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O4/c1-12(2,3)19-11(18)15-8-6-13(7-9-15,10(16)17)14(4)5/h6-9H2,1-5H3,(H,16,17)
InChIKeyLCUWMCKCMABXON-UHFFFAOYSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (CID 84809859) is 4-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is CN(C)C1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 4-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The InChIKey is LCUWMCKCMABXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-12(2,3)19-11(18)15-8-6-13(7-9-15,10(16)17)14(4)5/h6-9H2,1-5H3,(H,16,17).
What are the key properties of 4-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
4-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 84809859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).