4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine

C11H21NO — CID 122667575

IUPAC4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine
SMILESCC1(C)CCN(CC2COC2)CC1
InChIInChI=1S/C11H21NO/c1-11(2)3-5-12(6-4-11)7-10-8-13-9-10/h10H,3-9H2,1-2H3
InChIKeyNAGNTYNVSKPSKH-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.75
Rot. Bonds2

About 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine

4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine (PubChem CID 122667575) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine
PubChem CID122667575
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine
SMILESCC1(C)CCN(CC2COC2)CC1
InChIInChI=1S/C11H21NO/c1-11(2)3-5-12(6-4-11)7-10-8-13-9-10/h10H,3-9H2,1-2H3
InChIKeyNAGNTYNVSKPSKH-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine?
The IUPAC name of 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine (CID 122667575) is 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine.
What is the SMILES notation for 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine?
The canonical SMILES for 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine is CC1(C)CCN(CC2COC2)CC1.
What is the InChIKey of 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine?
The InChIKey is NAGNTYNVSKPSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2)3-5-12(6-4-11)7-10-8-13-9-10/h10H,3-9H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine?
4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine has a molecular weight of 183.29 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine is sourced from PubChem (CID 122667575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).