ethane;4-methyl-1-(oxetan-3-yl)piperidine

C13H29NO — CID 145049644

IUPACethane;4-methyl-1-(oxetan-3-yl)piperidine
SMILESCC.CC.CC1CCN(C2COC2)CC1
InChIInChI=1S/C9H17NO.2C2H6/c1-8-2-4-10(5-3-8)9-6-11-7-9;2*1-2/h8-9H,2-7H2,1H3;2*1-2H3
InChIKeyOEHUDKZZZODBAX-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.17
Rot. Bonds1

About ethane;4-methyl-1-(oxetan-3-yl)piperidine

ethane;4-methyl-1-(oxetan-3-yl)piperidine (PubChem CID 145049644) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is ethane;4-methyl-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Nameethane;4-methyl-1-(oxetan-3-yl)piperidine
PubChem CID145049644
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Nameethane;4-methyl-1-(oxetan-3-yl)piperidine
SMILESCC.CC.CC1CCN(C2COC2)CC1
InChIInChI=1S/C9H17NO.2C2H6/c1-8-2-4-10(5-3-8)9-6-11-7-9;2*1-2/h8-9H,2-7H2,1H3;2*1-2H3
InChIKeyOEHUDKZZZODBAX-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-(oxetan-3-yl)piperidine?
The IUPAC name of ethane;4-methyl-1-(oxetan-3-yl)piperidine (CID 145049644) is ethane;4-methyl-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for ethane;4-methyl-1-(oxetan-3-yl)piperidine?
The canonical SMILES for ethane;4-methyl-1-(oxetan-3-yl)piperidine is CC.CC.CC1CCN(C2COC2)CC1.
What is the InChIKey of ethane;4-methyl-1-(oxetan-3-yl)piperidine?
The InChIKey is OEHUDKZZZODBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.2C2H6/c1-8-2-4-10(5-3-8)9-6-11-7-9;2*1-2/h8-9H,2-7H2,1H3;2*1-2H3.
What are the key properties of ethane;4-methyl-1-(oxetan-3-yl)piperidine?
ethane;4-methyl-1-(oxetan-3-yl)piperidine has a molecular weight of 215.38 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 145049644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).