ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine

C48H110N6O — CID 164980329

IUPACethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine
SMILESCC.CC.CC.CC.CC.CC(C)C1=CCNCC1.CC(C)C1CCCNC1.CC(C)C1CCNCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H17N.C8H15N.C8H17N.C7H16N2.C7H15NO.5C2H6/c2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;5*1-2/h7-9H,3-6H2,1-2H3;3,7,9H,4-6H2,1-2H3;7-9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;5*1-2H3
InChIKeyFJSVWFXBYBWIAF-UHFFFAOYSA-N
MW787.45 g/mol
LogP11.00
Rot. Bonds5

About ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine

ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine (PubChem CID 164980329) has the molecular formula C48H110N6O and a molecular weight of 787.45 g/mol. Its IUPAC name is ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Nameethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine
PubChem CID164980329
Molecular FormulaC48H110N6O
Molecular Weight787.45 g/mol
Exact Mass786.87
IUPAC Nameethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine
SMILESCC.CC.CC.CC.CC.CC(C)C1=CCNCC1.CC(C)C1CCCNC1.CC(C)C1CCNCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H17N.C8H15N.C8H17N.C7H16N2.C7H15NO.5C2H6/c2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;5*1-2/h7-9H,3-6H2,1-2H3;3,7,9H,4-6H2,1-2H3;7-9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;5*1-2H3
InChIKeyFJSVWFXBYBWIAF-UHFFFAOYSA-N
XLogP11.00
TPSA63.83 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.45
LogP ≤ 511.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine 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

1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;4-methylmorpholine
CID 159658081
1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;4-methylmorpholine
CID 160796997
4-[1-[1'-Cyclopropyl-6'-(7-methyl-1-azoniabicyclo[3.3.1]non-5-en-3-yl)spiro[1-azabicyclo[2.2.2]octane-5,2'-piperazine]-2-yl]ethenyl]morpholin-4-ium
CID 163756182
Ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 165059902
bis(1,3-dimethyl-4-propan-2-ylpiperidine);3,3-dimethyl-4-propan-2-ylpiperidine;bis(1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine);1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);3-methyl-4-propan-2-ylpiperidine;4-propan-2-ylmorpholine;4-propan-2-ylpiperidine
CID 165087819
4-[1-[1'-Cyclopropyl-6'-(7-methyl-1-azabicyclo[3.3.1]non-5-en-3-yl)spiro[1-azabicyclo[2.2.2]octane-5,2'-piperazine]-2-yl]ethenyl]morpholine
CID 163756183

Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine?
The IUPAC name of ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine (CID 164980329) is ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine is CC.CC.CC.CC.CC.CC(C)C1=CCNCC1.CC(C)C1CCCNC1.CC(C)C1CCNCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.
What is the InChIKey of ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine?
The InChIKey is FJSVWFXBYBWIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C8H15N.C8H17N.C7H16N2.C7H15NO.5C2H6/c2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;5*1-2/h7-9H,3-6H2,1-2H3;3,7,9H,4-6H2,1-2H3;7-9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;5*1-2H3.
What are the key properties of ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine?
ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine has a molecular weight of 787.45 g/mol, XLogP of 11.00, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 164980329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).