ethane;1-ethyl-4-methylpiperidine;4-ethylmorpholine

C16H36N2O — CID 177010858

IUPACethane;1-ethyl-4-methylpiperidine;4-ethylmorpholine
SMILESCC.CCN1CCC(C)CC1.CCN1CCOCC1
InChIInChI=1S/C8H17N.C6H13NO.C2H6/c1-3-9-6-4-8(2)5-7-9;1-2-7-3-5-8-6-4-7;1-2/h8H,3-7H2,1-2H3;2-6H2,1H3;1-2H3
InChIKeyYDRISWDWGGVSBG-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.10
Rot. Bonds2

About ethane;1-ethyl-4-methylpiperidine;4-ethylmorpholine

ethane;1-ethyl-4-methylpiperidine;4-ethylmorpholine (PubChem CID 177010858) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is ethane;1-ethyl-4-methylpiperidine;4-ethylmorpholine.

Molecular Properties

Compound Nameethane;1-ethyl-4-methylpiperidine;4-ethylmorpholine
PubChem CID177010858
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Nameethane;1-ethyl-4-methylpiperidine;4-ethylmorpholine
SMILESCC.CCN1CCC(C)CC1.CCN1CCOCC1
InChIInChI=1S/C8H17N.C6H13NO.C2H6/c1-3-9-6-4-8(2)5-7-9;1-2-7-3-5-8-6-4-7;1-2/h8H,3-7H2,1-2H3;2-6H2,1H3;1-2H3
InChIKeyYDRISWDWGGVSBG-UHFFFAOYSA-N
XLogP3.10
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;1-ethyl-4-methylpiperidine;4-ethylmorpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-methylpiperidine;4-ethylmorpholine?
The IUPAC name of ethane;1-ethyl-4-methylpiperidine;4-ethylmorpholine (CID 177010858) is ethane;1-ethyl-4-methylpiperidine;4-ethylmorpholine.
What is the SMILES notation for ethane;1-ethyl-4-methylpiperidine;4-ethylmorpholine?
The canonical SMILES for ethane;1-ethyl-4-methylpiperidine;4-ethylmorpholine is CC.CCN1CCC(C)CC1.CCN1CCOCC1.
What is the InChIKey of ethane;1-ethyl-4-methylpiperidine;4-ethylmorpholine?
The InChIKey is YDRISWDWGGVSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C6H13NO.C2H6/c1-3-9-6-4-8(2)5-7-9;1-2-7-3-5-8-6-4-7;1-2/h8H,3-7H2,1-2H3;2-6H2,1H3;1-2H3.
What are the key properties of ethane;1-ethyl-4-methylpiperidine;4-ethylmorpholine?
ethane;1-ethyl-4-methylpiperidine;4-ethylmorpholine has a molecular weight of 272.48 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-methylpiperidine;4-ethylmorpholine is sourced from PubChem (CID 177010858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).