1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;methane;4-methylmorpholine;1-methylpiperidine

C41H96N8O — CID 158201045

IUPAC1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;methane;4-methylmorpholine;1-methylpiperidine
SMILESC.C.C.CC1CCCN(C)C1.CC1CCN(C)CC1.CCN1CCN(C)CC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1
InChIInChI=1S/C7H16N2.2C7H15N.C6H14N2.C6H13N.C5H11NO.3CH4/c1-3-9-6-4-8(2)5-7-9;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;;;/h3-7H2,1-2H3;2*7H,3-6H2,1-2H3;3-6H2,1-2H3;2-6H2,1H3;2-5H2,1H3;3*1H4
InChIKeyGAXZHQFSSUKVOF-UHFFFAOYSA-N
MW717.27 g/mol
LogP5.77
Rot. Bonds1

About 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;methane;4-methylmorpholine;1-methylpiperidine

1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;methane;4-methylmorpholine;1-methylpiperidine (PubChem CID 158201045) has the molecular formula C41H96N8O and a molecular weight of 717.27 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;methane;4-methylmorpholine;1-methylpiperidine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;methane;4-methylmorpholine;1-methylpiperidine
PubChem CID158201045
Molecular FormulaC41H96N8O
Molecular Weight717.27 g/mol
Exact Mass716.77
IUPAC Name1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;methane;4-methylmorpholine;1-methylpiperidine
SMILESC.C.C.CC1CCCN(C)C1.CC1CCN(C)CC1.CCN1CCN(C)CC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1
InChIInChI=1S/C7H16N2.2C7H15N.C6H14N2.C6H13N.C5H11NO.3CH4/c1-3-9-6-4-8(2)5-7-9;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;;;/h3-7H2,1-2H3;2*7H,3-6H2,1-2H3;3-6H2,1-2H3;2-6H2,1H3;2-5H2,1H3;3*1H4
InChIKeyGAXZHQFSSUKVOF-UHFFFAOYSA-N
XLogP5.77
TPSA35.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.27
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;methane;4-methylmorpholine;1-methylpiperidine?
The IUPAC name of 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;methane;4-methylmorpholine;1-methylpiperidine (CID 158201045) is 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;methane;4-methylmorpholine;1-methylpiperidine.
What is the SMILES notation for 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;methane;4-methylmorpholine;1-methylpiperidine?
The canonical SMILES for 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;methane;4-methylmorpholine;1-methylpiperidine is C.C.C.CC1CCCN(C)C1.CC1CCN(C)CC1.CCN1CCN(C)CC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1.
What is the InChIKey of 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;methane;4-methylmorpholine;1-methylpiperidine?
The InChIKey is GAXZHQFSSUKVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.2C7H15N.C6H14N2.C6H13N.C5H11NO.3CH4/c1-3-9-6-4-8(2)5-7-9;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;;;/h3-7H2,1-2H3;2*7H,3-6H2,1-2H3;3-6H2,1-2H3;2-6H2,1H3;2-5H2,1H3;3*1H4.
What are the key properties of 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;methane;4-methylmorpholine;1-methylpiperidine?
1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;methane;4-methylmorpholine;1-methylpiperidine has a molecular weight of 717.27 g/mol, XLogP of 5.77, 1 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;methane;4-methylmorpholine;1-methylpiperidine is sourced from PubChem (CID 158201045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).