tert-butyl 4-(2-methyl-1-oxopropan-2-yl)piperidine-1-carboxylate

C14H25NO3 — CID 90825810

IUPACtert-butyl 4-(2-methyl-1-oxopropan-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(C)(C)C=O)CC1
InChIInChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-8-6-11(7-9-15)14(4,5)10-16/h10-11H,6-9H2,1-5H3
InChIKeyRUDVNPDWGAFFAX-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.86
Rot. Bonds2

About tert-butyl 4-(2-methyl-1-oxopropan-2-yl)piperidine-1-carboxylate

tert-butyl 4-(2-methyl-1-oxopropan-2-yl)piperidine-1-carboxylate (PubChem CID 90825810) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl 4-(2-methyl-1-oxopropan-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-methyl-1-oxopropan-2-yl)piperidine-1-carboxylate
PubChem CID90825810
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl 4-(2-methyl-1-oxopropan-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(C)(C)C=O)CC1
InChIInChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-8-6-11(7-9-15)14(4,5)10-16/h10-11H,6-9H2,1-5H3
InChIKeyRUDVNPDWGAFFAX-UHFFFAOYSA-N
XLogP2.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-methyl-1-oxopropan-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-methyl-1-oxopropan-2-yl)piperidine-1-carboxylate (CID 90825810) is tert-butyl 4-(2-methyl-1-oxopropan-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-methyl-1-oxopropan-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-methyl-1-oxopropan-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(C)(C)C=O)CC1.
What is the InChIKey of tert-butyl 4-(2-methyl-1-oxopropan-2-yl)piperidine-1-carboxylate?
The InChIKey is RUDVNPDWGAFFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-8-6-11(7-9-15)14(4,5)10-16/h10-11H,6-9H2,1-5H3.
What are the key properties of tert-butyl 4-(2-methyl-1-oxopropan-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-methyl-1-oxopropan-2-yl)piperidine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-methyl-1-oxopropan-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 90825810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).