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

C15H33NO — CID 144941414

IUPAC4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane
SMILESCC.CC.CC1(C)CCN(CC2COC2)CC1
InChIInChI=1S/C11H21NO.2C2H6/c1-11(2)3-5-12(6-4-11)7-10-8-13-9-10;2*1-2/h10H,3-9H2,1-2H3;2*1-2H3
InChIKeyYAFKUAGFQSOREJ-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.81
Rot. Bonds2

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

4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane (PubChem CID 144941414) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane.

Molecular Properties

Compound Name4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane
PubChem CID144941414
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane
SMILESCC.CC.CC1(C)CCN(CC2COC2)CC1
InChIInChI=1S/C11H21NO.2C2H6/c1-11(2)3-5-12(6-4-11)7-10-8-13-9-10;2*1-2/h10H,3-9H2,1-2H3;2*1-2H3
InChIKeyYAFKUAGFQSOREJ-UHFFFAOYSA-N
XLogP3.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxetan-3-ylmethyl)piperidine
CID 57169736
N,4-dimethyl-1-(oxolan-3-ylmethyl)piperidin-4-amine
CID 115303950
[1-(oxetan-3-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 176545971
1-(cyclopropylmethyl)-4-methylpiperidin-4-ol
CID 114286475
4-methyl-1-(oxan-4-ylmethyl)piperidine-4-carbothioamide
CID 107161634
1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688
4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 115022041
3-methyl-1-(oxolan-3-ylmethyl)piperidin-3-ol
CID 115873758
1-(cyclopropylmethyl)-4-methylpiperidine-4-carboxylic acid
CID 63124521
1-ethyl-4,4-dimethylpiperidine;hydrate
CID 178113144
1-(oxan-3-ylmethyl)pyrrolidine
CID 91805344
2-[(1R)-2-methyl-1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]propyl]-2,7-diazaspiro[3.4]octane
CID 176720245

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane?
The IUPAC name of 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane (CID 144941414) is 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane.
What is the SMILES notation for 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane?
The canonical SMILES for 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane is CC.CC.CC1(C)CCN(CC2COC2)CC1.
What is the InChIKey of 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane?
The InChIKey is YAFKUAGFQSOREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.2C2H6/c1-11(2)3-5-12(6-4-11)7-10-8-13-9-10;2*1-2/h10H,3-9H2,1-2H3;2*1-2H3.
What are the key properties of 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane?
4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane has a molecular weight of 243.43 g/mol, XLogP of 3.81, 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;ethane is sourced from PubChem (CID 144941414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).