ethane;4-[(5-methylfuran-2-yl)methyl]morpholine;1-methyl-4-[(4-methylfuran-2-yl)methyl]piperazine

C23H39N3O3 — CID 143536396

IUPACethane;4-[(5-methylfuran-2-yl)methyl]morpholine;1-methyl-4-[(4-methylfuran-2-yl)methyl]piperazine
SMILESCC.Cc1ccc(CN2CCOCC2)o1.Cc1coc(CN2CCN(C)CC2)c1
InChIInChI=1S/C11H18N2O.C10H15NO2.C2H6/c1-10-7-11(14-9-10)8-13-5-3-12(2)4-6-13;1-9-2-3-10(13-9)8-11-4-6-12-7-5-11;1-2/h7,9H,3-6,8H2,1-2H3;2-3H,4-8H2,1H3;1-2H3
InChIKeyZDKSMSHKWPZUIH-UHFFFAOYSA-N
MW405.58 g/mol
LogP3.78
Rot. Bonds4

About ethane;4-[(5-methylfuran-2-yl)methyl]morpholine;1-methyl-4-[(4-methylfuran-2-yl)methyl]piperazine

ethane;4-[(5-methylfuran-2-yl)methyl]morpholine;1-methyl-4-[(4-methylfuran-2-yl)methyl]piperazine (PubChem CID 143536396) has the molecular formula C23H39N3O3 and a molecular weight of 405.58 g/mol. Its IUPAC name is ethane;4-[(5-methylfuran-2-yl)methyl]morpholine;1-methyl-4-[(4-methylfuran-2-yl)methyl]piperazine.

Molecular Properties

Compound Nameethane;4-[(5-methylfuran-2-yl)methyl]morpholine;1-methyl-4-[(4-methylfuran-2-yl)methyl]piperazine
PubChem CID143536396
Molecular FormulaC23H39N3O3
Molecular Weight405.58 g/mol
Exact Mass405.30
IUPAC Nameethane;4-[(5-methylfuran-2-yl)methyl]morpholine;1-methyl-4-[(4-methylfuran-2-yl)methyl]piperazine
SMILESCC.Cc1ccc(CN2CCOCC2)o1.Cc1coc(CN2CCN(C)CC2)c1
InChIInChI=1S/C11H18N2O.C10H15NO2.C2H6/c1-10-7-11(14-9-10)8-13-5-3-12(2)4-6-13;1-9-2-3-10(13-9)8-11-4-6-12-7-5-11;1-2/h7,9H,3-6,8H2,1-2H3;2-3H,4-8H2,1H3;1-2H3
InChIKeyZDKSMSHKWPZUIH-UHFFFAOYSA-N
XLogP3.78
TPSA45.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.58
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethane;4-[(5-methylfuran-2-yl)methyl]morpholine;1-methyl-4-[(4-methylfuran-2-yl)methyl]piperazine with MolForge

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Related Compounds

1-[(4-methylfuran-2-yl)methyl]-4-(4-methylphenyl)piperazine
CID 22762590
4-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]morpholine
CID 155546801
3-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]propan-1-amine
CID 54855936
1-[(5-bromofuran-2-yl)methyl]-4-methylpiperazine
CID 2838208
(4R)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]-4-(morpholin-4-ylmethyl)piperidin-4-ol
CID 97125091
1-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine
CID 3717638
3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-6-(morpholin-4-ylmethyl)pyran-4-one
CID 91823693
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
[5-(morpholin-4-ylmethyl)furan-3-yl]boronic acid
CID 71065996
1-[(4-methylfuran-2-yl)methyl]azetidin-3-amine
CID 82414098
1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974
[4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanol
CID 104695286

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(5-methylfuran-2-yl)methyl]morpholine;1-methyl-4-[(4-methylfuran-2-yl)methyl]piperazine?
The IUPAC name of ethane;4-[(5-methylfuran-2-yl)methyl]morpholine;1-methyl-4-[(4-methylfuran-2-yl)methyl]piperazine (CID 143536396) is ethane;4-[(5-methylfuran-2-yl)methyl]morpholine;1-methyl-4-[(4-methylfuran-2-yl)methyl]piperazine.
What is the SMILES notation for ethane;4-[(5-methylfuran-2-yl)methyl]morpholine;1-methyl-4-[(4-methylfuran-2-yl)methyl]piperazine?
The canonical SMILES for ethane;4-[(5-methylfuran-2-yl)methyl]morpholine;1-methyl-4-[(4-methylfuran-2-yl)methyl]piperazine is CC.Cc1ccc(CN2CCOCC2)o1.Cc1coc(CN2CCN(C)CC2)c1.
What is the InChIKey of ethane;4-[(5-methylfuran-2-yl)methyl]morpholine;1-methyl-4-[(4-methylfuran-2-yl)methyl]piperazine?
The InChIKey is ZDKSMSHKWPZUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.C10H15NO2.C2H6/c1-10-7-11(14-9-10)8-13-5-3-12(2)4-6-13;1-9-2-3-10(13-9)8-11-4-6-12-7-5-11;1-2/h7,9H,3-6,8H2,1-2H3;2-3H,4-8H2,1H3;1-2H3.
What are the key properties of ethane;4-[(5-methylfuran-2-yl)methyl]morpholine;1-methyl-4-[(4-methylfuran-2-yl)methyl]piperazine?
ethane;4-[(5-methylfuran-2-yl)methyl]morpholine;1-methyl-4-[(4-methylfuran-2-yl)methyl]piperazine has a molecular weight of 405.58 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(5-methylfuran-2-yl)methyl]morpholine;1-methyl-4-[(4-methylfuran-2-yl)methyl]piperazine is sourced from PubChem (CID 143536396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).