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

C38H87N5O — CID 165059902

IUPACethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine
SMILESCC.CC.CC.CC.CC(C)C1=CCNCC1.CC(C)C1CCNCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H17N.C8H15N.C7H16N2.C7H15NO.4C2H6/c2*1-7(2)8-3-5-9-6-4-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;4*1-2/h7-9H,3-6H2,1-2H3;3,7,9H,4-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;4*1-2H3
InChIKeyRAKJTIFBEYKNCF-UHFFFAOYSA-N
MW630.15 g/mol
LogP8.34
Rot. Bonds4

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

ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine (PubChem CID 165059902) has the molecular formula C38H87N5O and a molecular weight of 630.15 g/mol. Its IUPAC name is ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;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;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine
PubChem CID165059902
Molecular FormulaC38H87N5O
Molecular Weight630.15 g/mol
Exact Mass629.69
IUPAC Nameethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine
SMILESCC.CC.CC.CC.CC(C)C1=CCNCC1.CC(C)C1CCNCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H17N.C8H15N.C7H16N2.C7H15NO.4C2H6/c2*1-7(2)8-3-5-9-6-4-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;4*1-2/h7-9H,3-6H2,1-2H3;3,7,9H,4-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;4*1-2H3
InChIKeyRAKJTIFBEYKNCF-UHFFFAOYSA-N
XLogP8.34
TPSA51.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.15
LogP ≤ 58.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;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-(2-Methoxyethyl)-4-methyl-2-[4-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperazin-2-yl]piperazine
CID 90736699
4-Ethylidene-1-methylpiperidine;1-(2-methanidyloxyethyl)-4-methylpiperazine;1-methylpiperidin-4-amine
CID 158752826
1,4-Dimethylpiperazine;1-(2-ethoxyethyl)-4-methylpiperazine;4-ethylidenepiperidine;methane
CID 159014195
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
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
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

Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;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;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine (CID 165059902) is ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;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;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;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine is CC.CC.CC.CC.CC(C)C1=CCNCC1.CC(C)C1CCNCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.
What is the InChIKey of ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine?
The InChIKey is RAKJTIFBEYKNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C8H15N.C7H16N2.C7H15NO.4C2H6/c2*1-7(2)8-3-5-9-6-4-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;4*1-2/h7-9H,3-6H2,1-2H3;3,7,9H,4-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;4*1-2H3.
What are the key properties of ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine?
ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine has a molecular weight of 630.15 g/mol, XLogP of 8.34, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 165059902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).