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

C49H114N10O — CID 161486012

IUPAC1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-1,3-diazinane;1-ethyl-4-methylpiperazine;1-ethyl-3-methylpiperidine;1-ethylpiperidine;methane;4-methylmorpholine
SMILESC.C.C.CC1CCN(C)CC1.CCN1CCCC(C)C1.CCN1CCCCC1.CCN1CCCNC1.CCN1CCN(C)CC1.CN1CCN(C)CC1.CN1CCOCC1
InChIInChI=1S/C8H17N.C7H16N2.2C7H15N.2C6H14N2.C5H11NO.3CH4/c1-3-9-6-4-5-8(2)7-9;1-3-9-6-4-8(2)5-7-9;1-7-3-5-8(2)6-4-7;1-2-8-6-4-3-5-7-8;1-7-3-5-8(2)6-4-7;1-2-8-5-3-4-7-6-8;1-6-2-4-7-5-3-6;;;/h8H,3-7H2,1-2H3;3-7H2,1-2H3;7H,3-6H2,1-2H3;2-7H2,1H3;3-6H2,1-2H3;7H,2-6H2,1H3;2-5H2,1H3;3*1H4
InChIKeyWEZFTSCCVDVXOP-UHFFFAOYSA-N
MW859.52 g/mol
LogP6.81
Rot. Bonds4

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

1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-1,3-diazinane;1-ethyl-4-methylpiperazine;1-ethyl-3-methylpiperidine;1-ethylpiperidine;methane;4-methylmorpholine (PubChem CID 161486012) has the molecular formula C49H114N10O and a molecular weight of 859.52 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-1,3-diazinane;1-ethyl-4-methylpiperazine;1-ethyl-3-methylpiperidine;1-ethylpiperidine;methane;4-methylmorpholine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-1,3-diazinane;1-ethyl-4-methylpiperazine;1-ethyl-3-methylpiperidine;1-ethylpiperidine;methane;4-methylmorpholine
PubChem CID161486012
Molecular FormulaC49H114N10O
Molecular Weight859.52 g/mol
Exact Mass858.92
IUPAC Name1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-1,3-diazinane;1-ethyl-4-methylpiperazine;1-ethyl-3-methylpiperidine;1-ethylpiperidine;methane;4-methylmorpholine
SMILESC.C.C.CC1CCN(C)CC1.CCN1CCCC(C)C1.CCN1CCCCC1.CCN1CCCNC1.CCN1CCN(C)CC1.CN1CCN(C)CC1.CN1CCOCC1
InChIInChI=1S/C8H17N.C7H16N2.2C7H15N.2C6H14N2.C5H11NO.3CH4/c1-3-9-6-4-5-8(2)7-9;1-3-9-6-4-8(2)5-7-9;1-7-3-5-8(2)6-4-7;1-2-8-6-4-3-5-7-8;1-7-3-5-8(2)6-4-7;1-2-8-5-3-4-7-6-8;1-6-2-4-7-5-3-6;;;/h8H,3-7H2,1-2H3;3-7H2,1-2H3;7H,3-6H2,1-2H3;2-7H2,1H3;3-6H2,1-2H3;7H,2-6H2,1H3;2-5H2,1H3;3*1H4
InChIKeyWEZFTSCCVDVXOP-UHFFFAOYSA-N
XLogP6.81
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500859.52
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-1,3-diazinane;1-ethyl-4-methylpiperazine;1-ethyl-3-methylpiperidine;1-ethylpiperidine;methane;4-methylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-1,3-diazinane;1-ethyl-4-methylpiperazine;1-ethyl-3-methylpiperidine;1-ethylpiperidine;methane;4-methylmorpholine?
The IUPAC name of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-1,3-diazinane;1-ethyl-4-methylpiperazine;1-ethyl-3-methylpiperidine;1-ethylpiperidine;methane;4-methylmorpholine (CID 161486012) is 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-1,3-diazinane;1-ethyl-4-methylpiperazine;1-ethyl-3-methylpiperidine;1-ethylpiperidine;methane;4-methylmorpholine.
What is the SMILES notation for 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-1,3-diazinane;1-ethyl-4-methylpiperazine;1-ethyl-3-methylpiperidine;1-ethylpiperidine;methane;4-methylmorpholine?
The canonical SMILES for 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-1,3-diazinane;1-ethyl-4-methylpiperazine;1-ethyl-3-methylpiperidine;1-ethylpiperidine;methane;4-methylmorpholine is C.C.C.CC1CCN(C)CC1.CCN1CCCC(C)C1.CCN1CCCCC1.CCN1CCCNC1.CCN1CCN(C)CC1.CN1CCN(C)CC1.CN1CCOCC1.
What is the InChIKey of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-1,3-diazinane;1-ethyl-4-methylpiperazine;1-ethyl-3-methylpiperidine;1-ethylpiperidine;methane;4-methylmorpholine?
The InChIKey is WEZFTSCCVDVXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C7H16N2.2C7H15N.2C6H14N2.C5H11NO.3CH4/c1-3-9-6-4-5-8(2)7-9;1-3-9-6-4-8(2)5-7-9;1-7-3-5-8(2)6-4-7;1-2-8-6-4-3-5-7-8;1-7-3-5-8(2)6-4-7;1-2-8-5-3-4-7-6-8;1-6-2-4-7-5-3-6;;;/h8H,3-7H2,1-2H3;3-7H2,1-2H3;7H,3-6H2,1-2H3;2-7H2,1H3;3-6H2,1-2H3;7H,2-6H2,1H3;2-5H2,1H3;3*1H4.
What are the key properties of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-1,3-diazinane;1-ethyl-4-methylpiperazine;1-ethyl-3-methylpiperidine;1-ethylpiperidine;methane;4-methylmorpholine?
1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-1,3-diazinane;1-ethyl-4-methylpiperazine;1-ethyl-3-methylpiperidine;1-ethylpiperidine;methane;4-methylmorpholine has a molecular weight of 859.52 g/mol, XLogP of 6.81, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-1,3-diazinane;1-ethyl-4-methylpiperazine;1-ethyl-3-methylpiperidine;1-ethylpiperidine;methane;4-methylmorpholine is sourced from PubChem (CID 161486012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).