1-ethylpiperidine;1-methylpiperidine;oxane

C18H38N2O — CID 164954592

IUPAC1-ethylpiperidine;1-methylpiperidine;oxane
SMILESC1CCOCC1.CCN1CCCCC1.CN1CCCCC1
InChIInChI=1S/C7H15N.C6H13N.C5H10O/c1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1/h2-7H2,1H3;2-6H2,1H3;1-5H2
InChIKeyAZTJGIBNKBGSAG-UHFFFAOYSA-N
MW298.52 g/mol
LogP3.78
Rot. Bonds1

About 1-ethylpiperidine;1-methylpiperidine;oxane

1-ethylpiperidine;1-methylpiperidine;oxane (PubChem CID 164954592) has the molecular formula C18H38N2O and a molecular weight of 298.52 g/mol. Its IUPAC name is 1-ethylpiperidine;1-methylpiperidine;oxane.

Molecular Properties

Compound Name1-ethylpiperidine;1-methylpiperidine;oxane
PubChem CID164954592
Molecular FormulaC18H38N2O
Molecular Weight298.52 g/mol
Exact Mass298.30
IUPAC Name1-ethylpiperidine;1-methylpiperidine;oxane
SMILESC1CCOCC1.CCN1CCCCC1.CN1CCCCC1
InChIInChI=1S/C7H15N.C6H13N.C5H10O/c1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1/h2-7H2,1H3;2-6H2,1H3;1-5H2
InChIKeyAZTJGIBNKBGSAG-UHFFFAOYSA-N
XLogP3.78
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethylpiperidine;1-methylpiperidine;oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethylpiperidine;4-methylmorpholine
CID 70445137
4-ethyl-1,4-oxazocane
CID 123629290
6-methyl-1-oxa-6-azacycloundecane
CID 123668114
5-methyl-1-oxa-5-azacycloundecane
CID 123548674
1-methylpiperidine;tris(2-methylpropane);1-methylpyrrolidine;oxane
CID 160567217
1-ethylpiperidine
CID 13007
1-ethylpyrrolidine;hydrofluoride
CID 163271504
1-ethylpiperidine;methane
CID 162133943
ethane;1-ethylpiperidine
CID 90845344
1,6-diethyl-1,6-diazecane
CID 172611513
bis(cyclohexane);1,3-dimethylimidazolidine;1,4-dimethylpiperazine;ethane;1-ethyl-4-methylpiperazine;methylcyclohexane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);oxane
CID 157304328
1-ethyl-4-methylpiperazine;morpholine
CID 145383471

Frequently Asked Questions

What is the IUPAC name of 1-ethylpiperidine;1-methylpiperidine;oxane?
The IUPAC name of 1-ethylpiperidine;1-methylpiperidine;oxane (CID 164954592) is 1-ethylpiperidine;1-methylpiperidine;oxane.
What is the SMILES notation for 1-ethylpiperidine;1-methylpiperidine;oxane?
The canonical SMILES for 1-ethylpiperidine;1-methylpiperidine;oxane is C1CCOCC1.CCN1CCCCC1.CN1CCCCC1.
What is the InChIKey of 1-ethylpiperidine;1-methylpiperidine;oxane?
The InChIKey is AZTJGIBNKBGSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C6H13N.C5H10O/c1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1/h2-7H2,1H3;2-6H2,1H3;1-5H2.
What are the key properties of 1-ethylpiperidine;1-methylpiperidine;oxane?
1-ethylpiperidine;1-methylpiperidine;oxane has a molecular weight of 298.52 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperidine;1-methylpiperidine;oxane is sourced from PubChem (CID 164954592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).