tert-butyl 4-(2,2-dimethylpropanoyl)piperidine-1-carboxylate

C15H27NO3 — CID 59470757

IUPACtert-butyl 4-(2,2-dimethylpropanoyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-14(2,3)12(17)11-7-9-16(10-8-11)13(18)19-15(4,5)6/h11H,7-10H2,1-6H3
InChIKeyKCISJMBZVMRODE-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.25
Rot. Bonds1

About tert-butyl 4-(2,2-dimethylpropanoyl)piperidine-1-carboxylate

tert-butyl 4-(2,2-dimethylpropanoyl)piperidine-1-carboxylate (PubChem CID 59470757) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl 4-(2,2-dimethylpropanoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2,2-dimethylpropanoyl)piperidine-1-carboxylate
PubChem CID59470757
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl 4-(2,2-dimethylpropanoyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-14(2,3)12(17)11-7-9-16(10-8-11)13(18)19-15(4,5)6/h11H,7-10H2,1-6H3
InChIKeyKCISJMBZVMRODE-UHFFFAOYSA-N
XLogP3.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2,2-dimethylpropanoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2,2-dimethylpropanoyl)piperidine-1-carboxylate (CID 59470757) is tert-butyl 4-(2,2-dimethylpropanoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2,2-dimethylpropanoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2,2-dimethylpropanoyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2,2-dimethylpropanoyl)piperidine-1-carboxylate?
The InChIKey is KCISJMBZVMRODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-14(2,3)12(17)11-7-9-16(10-8-11)13(18)19-15(4,5)6/h11H,7-10H2,1-6H3.
What are the key properties of tert-butyl 4-(2,2-dimethylpropanoyl)piperidine-1-carboxylate?
tert-butyl 4-(2,2-dimethylpropanoyl)piperidine-1-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2,2-dimethylpropanoyl)piperidine-1-carboxylate is sourced from PubChem (CID 59470757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).