1,4-dimethylpiperazine;methane;1,3,3,5,5-pentamethylpiperazine

C16H38N4 — CID 160555992

IUPAC1,4-dimethylpiperazine;methane;1,3,3,5,5-pentamethylpiperazine
SMILESC.CN1CC(C)(C)NC(C)(C)C1.CN1CCN(C)CC1
InChIInChI=1S/C9H20N2.C6H14N2.CH4/c1-8(2)6-11(5)7-9(3,4)10-8;1-7-3-5-8(2)6-4-7;/h10H,6-7H2,1-5H3;3-6H2,1-2H3;1H4
InChIKeyQYROJQVHJDGDKJ-UHFFFAOYSA-N
MW286.51 g/mol
LogP1.58
Rot. Bonds

About 1,4-dimethylpiperazine;methane;1,3,3,5,5-pentamethylpiperazine

1,4-dimethylpiperazine;methane;1,3,3,5,5-pentamethylpiperazine (PubChem CID 160555992) has the molecular formula C16H38N4 and a molecular weight of 286.51 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;methane;1,3,3,5,5-pentamethylpiperazine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;methane;1,3,3,5,5-pentamethylpiperazine
PubChem CID160555992
Molecular FormulaC16H38N4
Molecular Weight286.51 g/mol
Exact Mass286.31
IUPAC Name1,4-dimethylpiperazine;methane;1,3,3,5,5-pentamethylpiperazine
SMILESC.CN1CC(C)(C)NC(C)(C)C1.CN1CCN(C)CC1
InChIInChI=1S/C9H20N2.C6H14N2.CH4/c1-8(2)6-11(5)7-9(3,4)10-8;1-7-3-5-8(2)6-4-7;/h10H,6-7H2,1-5H3;3-6H2,1-2H3;1H4
InChIKeyQYROJQVHJDGDKJ-UHFFFAOYSA-N
XLogP1.58
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride
CID 126796964
ethane;(1S,5R)-1,3,5-trimethyl-3-azabicyclo[3.1.0]hexane
CID 168910371
1,4-dimethylpiperazine;ethane
CID 91292414
3a-fluoro-5,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 176992944
(3aR,6aS)-5-cyclopropyl-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 170409631
6-methyl-1,6-diazaspiro[2.4]heptane
CID 148820818
(3aR,6aR)-3a,5,6a-trimethyl-1-sulfanyl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole
CID 145242260
1,3,5,6-tetramethyl-3-azabicyclo[3.1.0]hexane
CID 167503016
4-methylpiperazine-2,2,6,6-tetrol
CID 145316963
3-fluoro-1,3-dimethylazetidine
CID 89296536
2,3a,6,7a-tetramethyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;ethane
CID 145242282
methane;1,3,3-trimethylpyrrolidine
CID 158632756

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;methane;1,3,3,5,5-pentamethylpiperazine?
The IUPAC name of 1,4-dimethylpiperazine;methane;1,3,3,5,5-pentamethylpiperazine (CID 160555992) is 1,4-dimethylpiperazine;methane;1,3,3,5,5-pentamethylpiperazine.
What is the SMILES notation for 1,4-dimethylpiperazine;methane;1,3,3,5,5-pentamethylpiperazine?
The canonical SMILES for 1,4-dimethylpiperazine;methane;1,3,3,5,5-pentamethylpiperazine is C.CN1CC(C)(C)NC(C)(C)C1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;methane;1,3,3,5,5-pentamethylpiperazine?
The InChIKey is QYROJQVHJDGDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C6H14N2.CH4/c1-8(2)6-11(5)7-9(3,4)10-8;1-7-3-5-8(2)6-4-7;/h10H,6-7H2,1-5H3;3-6H2,1-2H3;1H4.
What are the key properties of 1,4-dimethylpiperazine;methane;1,3,3,5,5-pentamethylpiperazine?
1,4-dimethylpiperazine;methane;1,3,3,5,5-pentamethylpiperazine has a molecular weight of 286.51 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;methane;1,3,3,5,5-pentamethylpiperazine is sourced from PubChem (CID 160555992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).