4-(1,4-dimethylpiperidin-4-yl)-1,2-dimethylpiperazine;ethane

C15H33N3 — CID 145006319

IUPAC4-(1,4-dimethylpiperidin-4-yl)-1,2-dimethylpiperazine;ethane
SMILESCC.CC1CN(C2(C)CCN(C)CC2)CCN1C
InChIInChI=1S/C13H27N3.C2H6/c1-12-11-16(10-9-15(12)4)13(2)5-7-14(3)8-6-13;1-2/h12H,5-11H2,1-4H3;1-2H3
InChIKeyXBNKLUPEUJEJKS-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.13
Rot. Bonds1

About 4-(1,4-dimethylpiperidin-4-yl)-1,2-dimethylpiperazine;ethane

4-(1,4-dimethylpiperidin-4-yl)-1,2-dimethylpiperazine;ethane (PubChem CID 145006319) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 4-(1,4-dimethylpiperidin-4-yl)-1,2-dimethylpiperazine;ethane.

Molecular Properties

Compound Name4-(1,4-dimethylpiperidin-4-yl)-1,2-dimethylpiperazine;ethane
PubChem CID145006319
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name4-(1,4-dimethylpiperidin-4-yl)-1,2-dimethylpiperazine;ethane
SMILESCC.CC1CN(C2(C)CCN(C)CC2)CCN1C
InChIInChI=1S/C13H27N3.C2H6/c1-12-11-16(10-9-15(12)4)13(2)5-7-14(3)8-6-13;1-2/h12H,5-11H2,1-4H3;1-2H3
InChIKeyXBNKLUPEUJEJKS-UHFFFAOYSA-N
XLogP2.13
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethylpiperazine;(2S)-1,2,4-trimethylpiperazine
CID 145359851
ethane;(2S)-1,2,4-trimethylpiperazine
CID 90960926
[1-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine
CID 79847121
1-methyl-4-(1-methylcycloheptyl)piperazine
CID 71065653
ethane;(2R)-1,2,4-trimethyl-1,4-diazepane
CID 142347964
ethane;1,2,4,5-tetramethylpiperazine
CID 164865311
1-cyclopropyl-4-methylpiperazine;1,2,4-trimethylpiperazine
CID 142374718
ethane;4-ethyl-1,2-dimethylpiperazine
CID 142283351
6,6-difluoro-1,4-dimethyl-1,4-diazepane;ethane;1,4,5-trimethyl-1,4-diazepane
CID 177212485
[1-(3,4-dimethylpiperazin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 65044902
[4-tert-butyl-1-(3,4-dimethylpiperazin-1-yl)cycloheptyl]methanamine
CID 65089417
1,4,4,5,5,6,6-heptamethylazocane
CID 154547970

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dimethylpiperidin-4-yl)-1,2-dimethylpiperazine;ethane?
The IUPAC name of 4-(1,4-dimethylpiperidin-4-yl)-1,2-dimethylpiperazine;ethane (CID 145006319) is 4-(1,4-dimethylpiperidin-4-yl)-1,2-dimethylpiperazine;ethane.
What is the SMILES notation for 4-(1,4-dimethylpiperidin-4-yl)-1,2-dimethylpiperazine;ethane?
The canonical SMILES for 4-(1,4-dimethylpiperidin-4-yl)-1,2-dimethylpiperazine;ethane is CC.CC1CN(C2(C)CCN(C)CC2)CCN1C.
What is the InChIKey of 4-(1,4-dimethylpiperidin-4-yl)-1,2-dimethylpiperazine;ethane?
The InChIKey is XBNKLUPEUJEJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3.C2H6/c1-12-11-16(10-9-15(12)4)13(2)5-7-14(3)8-6-13;1-2/h12H,5-11H2,1-4H3;1-2H3.
What are the key properties of 4-(1,4-dimethylpiperidin-4-yl)-1,2-dimethylpiperazine;ethane?
4-(1,4-dimethylpiperidin-4-yl)-1,2-dimethylpiperazine;ethane has a molecular weight of 255.45 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dimethylpiperidin-4-yl)-1,2-dimethylpiperazine;ethane is sourced from PubChem (CID 145006319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).