1,4-dimethylpiperidine;methane;1-methylpiperidine;2,4,6-trimethylmorpholine

C21H47N3O — CID 158607105

IUPAC1,4-dimethylpiperidine;methane;1-methylpiperidine;2,4,6-trimethylmorpholine
SMILESC.CC1CCN(C)CC1.CC1CN(C)CC(C)O1.CN1CCCCC1
InChIInChI=1S/C7H15NO.C7H15N.C6H13N.CH4/c1-6-4-8(3)5-7(2)9-6;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;/h6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;2-6H2,1H3;1H4
InChIKeyHWJDRGMOJBWZFX-UHFFFAOYSA-N
MW357.63 g/mol
LogP3.81
Rot. Bonds

About 1,4-dimethylpiperidine;methane;1-methylpiperidine;2,4,6-trimethylmorpholine

1,4-dimethylpiperidine;methane;1-methylpiperidine;2,4,6-trimethylmorpholine (PubChem CID 158607105) has the molecular formula C21H47N3O and a molecular weight of 357.63 g/mol. Its IUPAC name is 1,4-dimethylpiperidine;methane;1-methylpiperidine;2,4,6-trimethylmorpholine.

Molecular Properties

Compound Name1,4-dimethylpiperidine;methane;1-methylpiperidine;2,4,6-trimethylmorpholine
PubChem CID158607105
Molecular FormulaC21H47N3O
Molecular Weight357.63 g/mol
Exact Mass357.37
IUPAC Name1,4-dimethylpiperidine;methane;1-methylpiperidine;2,4,6-trimethylmorpholine
SMILESC.CC1CCN(C)CC1.CC1CN(C)CC(C)O1.CN1CCCCC1
InChIInChI=1S/C7H15NO.C7H15N.C6H13N.CH4/c1-6-4-8(3)5-7(2)9-6;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;/h6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;2-6H2,1H3;1H4
InChIKeyHWJDRGMOJBWZFX-UHFFFAOYSA-N
XLogP3.81
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.63
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dimethyl-azacycloundecane
CID 89347639
methylcyclohexane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 158500859
1,5,8,11-tetramethyl-1,5-diazacyclotridecane
CID 10610105
ethane;(2S,6R)-2,4,6-trimethylmorpholine
CID 142013694
1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;methane;1-methylpiperidine
CID 161233752
methane;1-methylazepane;1-methylazetidine;methylcyclobutane;bis(methylcyclohexane);tris(1-methylpiperidine);1-methylpyrrolidine
CID 159749342
cyclopentane;ethane;methylcyclohexane;1-methylpiperidine
CID 167573510
1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane
CID 160580121
1,4-dimethylpiperidine;methane;methylcyclohexane;1-methylpiperidine;propane;1-propylazepane;bis(1-propylpiperidine)
CID 160949305
methane;tris(1-methylpiperidine)
CID 162076357
methane;1-methylpiperidine;bis(1-methylpyrrolidine)
CID 158442091
N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane
CID 158426450

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperidine;methane;1-methylpiperidine;2,4,6-trimethylmorpholine?
The IUPAC name of 1,4-dimethylpiperidine;methane;1-methylpiperidine;2,4,6-trimethylmorpholine (CID 158607105) is 1,4-dimethylpiperidine;methane;1-methylpiperidine;2,4,6-trimethylmorpholine.
What is the SMILES notation for 1,4-dimethylpiperidine;methane;1-methylpiperidine;2,4,6-trimethylmorpholine?
The canonical SMILES for 1,4-dimethylpiperidine;methane;1-methylpiperidine;2,4,6-trimethylmorpholine is C.CC1CCN(C)CC1.CC1CN(C)CC(C)O1.CN1CCCCC1.
What is the InChIKey of 1,4-dimethylpiperidine;methane;1-methylpiperidine;2,4,6-trimethylmorpholine?
The InChIKey is HWJDRGMOJBWZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C7H15N.C6H13N.CH4/c1-6-4-8(3)5-7(2)9-6;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;/h6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;2-6H2,1H3;1H4.
What are the key properties of 1,4-dimethylpiperidine;methane;1-methylpiperidine;2,4,6-trimethylmorpholine?
1,4-dimethylpiperidine;methane;1-methylpiperidine;2,4,6-trimethylmorpholine has a molecular weight of 357.63 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperidine;methane;1-methylpiperidine;2,4,6-trimethylmorpholine is sourced from PubChem (CID 158607105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).