4-tert-butyl-4-methyl-1-(oxetan-3-ylmethyl)piperidine

C14H27NO — CID 126501659

IUPAC4-tert-butyl-4-methyl-1-(oxetan-3-ylmethyl)piperidine
SMILESCC(C)(C)C1(C)CCN(CC2COC2)CC1
InChIInChI=1S/C14H27NO/c1-13(2,3)14(4)5-7-15(8-6-14)9-12-10-16-11-12/h12H,5-11H2,1-4H3
InChIKeySIQSLNNTWKPKJQ-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.78
Rot. Bonds2

About 4-tert-butyl-4-methyl-1-(oxetan-3-ylmethyl)piperidine

4-tert-butyl-4-methyl-1-(oxetan-3-ylmethyl)piperidine (PubChem CID 126501659) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-tert-butyl-4-methyl-1-(oxetan-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4-tert-butyl-4-methyl-1-(oxetan-3-ylmethyl)piperidine
PubChem CID126501659
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-tert-butyl-4-methyl-1-(oxetan-3-ylmethyl)piperidine
SMILESCC(C)(C)C1(C)CCN(CC2COC2)CC1
InChIInChI=1S/C14H27NO/c1-13(2,3)14(4)5-7-15(8-6-14)9-12-10-16-11-12/h12H,5-11H2,1-4H3
InChIKeySIQSLNNTWKPKJQ-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4-methyl-1-(oxetan-3-ylmethyl)piperidine?
The IUPAC name of 4-tert-butyl-4-methyl-1-(oxetan-3-ylmethyl)piperidine (CID 126501659) is 4-tert-butyl-4-methyl-1-(oxetan-3-ylmethyl)piperidine.
What is the SMILES notation for 4-tert-butyl-4-methyl-1-(oxetan-3-ylmethyl)piperidine?
The canonical SMILES for 4-tert-butyl-4-methyl-1-(oxetan-3-ylmethyl)piperidine is CC(C)(C)C1(C)CCN(CC2COC2)CC1.
What is the InChIKey of 4-tert-butyl-4-methyl-1-(oxetan-3-ylmethyl)piperidine?
The InChIKey is SIQSLNNTWKPKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-13(2,3)14(4)5-7-15(8-6-14)9-12-10-16-11-12/h12H,5-11H2,1-4H3.
What are the key properties of 4-tert-butyl-4-methyl-1-(oxetan-3-ylmethyl)piperidine?
4-tert-butyl-4-methyl-1-(oxetan-3-ylmethyl)piperidine has a molecular weight of 225.38 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-methyl-1-(oxetan-3-ylmethyl)piperidine is sourced from PubChem (CID 126501659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).