1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane

C20H45N3O — CID 162058346

IUPAC1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane
SMILESC.CC(C)(C)CN1CCOCC1.CN1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C10H22N2.C9H19NO.CH4/c1-10(2,3)9-12-7-5-11(4)6-8-12;1-9(2,3)8-10-4-6-11-7-5-10;/h5-9H2,1-4H3;4-8H2,1-3H3;1H4
InChIKeyYZMFVQCFEXVYAF-UHFFFAOYSA-N
MW343.60 g/mol
LogP3.28
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane

1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane (PubChem CID 162058346) has the molecular formula C20H45N3O and a molecular weight of 343.60 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane
PubChem CID162058346
Molecular FormulaC20H45N3O
Molecular Weight343.60 g/mol
Exact Mass343.36
IUPAC Name1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane
SMILESC.CC(C)(C)CN1CCOCC1.CN1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C10H22N2.C9H19NO.CH4/c1-10(2,3)9-12-7-5-11(4)6-8-12;1-9(2,3)8-10-4-6-11-7-5-10;/h5-9H2,1-4H3;4-8H2,1-3H3;1H4
InChIKeyYZMFVQCFEXVYAF-UHFFFAOYSA-N
XLogP3.28
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.60
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane (CID 162058346) is 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane is C.CC(C)(C)CN1CCOCC1.CN1CCN(CC(C)(C)C)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane?
The InChIKey is YZMFVQCFEXVYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C9H19NO.CH4/c1-10(2,3)9-12-7-5-11(4)6-8-12;1-9(2,3)8-10-4-6-11-7-5-10;/h5-9H2,1-4H3;4-8H2,1-3H3;1H4.
What are the key properties of 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane?
1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane has a molecular weight of 343.60 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane is sourced from PubChem (CID 162058346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).