2,5-ditert-butyl-1-(oxetan-3-yl)piperidine

C16H31NO — CID 122428079

IUPAC2,5-ditert-butyl-1-(oxetan-3-yl)piperidine
SMILESCC(C)(C)C1CCC(C(C)(C)C)N(C2COC2)C1
InChIInChI=1S/C16H31NO/c1-15(2,3)12-7-8-14(16(4,5)6)17(9-12)13-10-18-11-13/h12-14H,7-11H2,1-6H3
InChIKeyRDKMVHKCNDGIFX-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.56
Rot. Bonds1

About 2,5-ditert-butyl-1-(oxetan-3-yl)piperidine

2,5-ditert-butyl-1-(oxetan-3-yl)piperidine (PubChem CID 122428079) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2,5-ditert-butyl-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name2,5-ditert-butyl-1-(oxetan-3-yl)piperidine
PubChem CID122428079
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2,5-ditert-butyl-1-(oxetan-3-yl)piperidine
SMILESCC(C)(C)C1CCC(C(C)(C)C)N(C2COC2)C1
InChIInChI=1S/C16H31NO/c1-15(2,3)12-7-8-14(16(4,5)6)17(9-12)13-10-18-11-13/h12-14H,7-11H2,1-6H3
InChIKeyRDKMVHKCNDGIFX-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-1-(oxetan-3-yl)piperidine?
The IUPAC name of 2,5-ditert-butyl-1-(oxetan-3-yl)piperidine (CID 122428079) is 2,5-ditert-butyl-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for 2,5-ditert-butyl-1-(oxetan-3-yl)piperidine?
The canonical SMILES for 2,5-ditert-butyl-1-(oxetan-3-yl)piperidine is CC(C)(C)C1CCC(C(C)(C)C)N(C2COC2)C1.
What is the InChIKey of 2,5-ditert-butyl-1-(oxetan-3-yl)piperidine?
The InChIKey is RDKMVHKCNDGIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-15(2,3)12-7-8-14(16(4,5)6)17(9-12)13-10-18-11-13/h12-14H,7-11H2,1-6H3.
What are the key properties of 2,5-ditert-butyl-1-(oxetan-3-yl)piperidine?
2,5-ditert-butyl-1-(oxetan-3-yl)piperidine has a molecular weight of 253.43 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 122428079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).