2,5-diethyl-5-methyl-1-(1-methylpiperidin-4-yl)piperazine

C15H31N3 — CID 64935587

IUPAC2,5-diethyl-5-methyl-1-(1-methylpiperidin-4-yl)piperazine
SMILESCCC1CNC(C)(CC)CN1C1CCN(C)CC1
InChIInChI=1S/C15H31N3/c1-5-13-11-16-15(3,6-2)12-18(13)14-7-9-17(4)10-8-14/h13-14,16H,5-12H2,1-4H3
InChIKeyXYLCEFMAZSHQKR-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.93
Rot. Bonds3

About 2,5-diethyl-5-methyl-1-(1-methylpiperidin-4-yl)piperazine

2,5-diethyl-5-methyl-1-(1-methylpiperidin-4-yl)piperazine (PubChem CID 64935587) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 2,5-diethyl-5-methyl-1-(1-methylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name2,5-diethyl-5-methyl-1-(1-methylpiperidin-4-yl)piperazine
PubChem CID64935587
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name2,5-diethyl-5-methyl-1-(1-methylpiperidin-4-yl)piperazine
SMILESCCC1CNC(C)(CC)CN1C1CCN(C)CC1
InChIInChI=1S/C15H31N3/c1-5-13-11-16-15(3,6-2)12-18(13)14-7-9-17(4)10-8-14/h13-14,16H,5-12H2,1-4H3
InChIKeyXYLCEFMAZSHQKR-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2,5-diethyl-5-methylpiperazine
CID 64931233
1-cyclooctyl-2,5-diethyl-5-methylpiperazine
CID 64930575
2-ethyl-5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperazine
CID 64933663
1-(2,3-dimethylcyclopentyl)-2,5-diethyl-5-methylpiperazine
CID 64939777
3-(2,5-diethyl-5-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane
CID 64932860
8-ethyl-9-(1-propylpiperidin-4-yl)-6,9-diazaspiro[4.5]decane
CID 64946301
2-ethyl-5-methyl-1-(1-methylpiperidin-4-yl)piperazine
CID 64937105
2-ethyl-5,5-dimethyl-1-(4-methylcyclohexyl)piperazine
CID 64932642
1-butyl-2,5-diethyl-5-methylpiperazine
CID 64847702
1-(1-cyclopropylpyrrolidin-3-yl)-5-ethyl-2,5-dimethylpiperazine
CID 64947502
5-cyclopropyl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine
CID 64935586
2,5-diethyl-1-[(4-ethylcyclohexyl)methyl]-5-methylpiperazine
CID 64946947

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-5-methyl-1-(1-methylpiperidin-4-yl)piperazine?
The IUPAC name of 2,5-diethyl-5-methyl-1-(1-methylpiperidin-4-yl)piperazine (CID 64935587) is 2,5-diethyl-5-methyl-1-(1-methylpiperidin-4-yl)piperazine.
What is the SMILES notation for 2,5-diethyl-5-methyl-1-(1-methylpiperidin-4-yl)piperazine?
The canonical SMILES for 2,5-diethyl-5-methyl-1-(1-methylpiperidin-4-yl)piperazine is CCC1CNC(C)(CC)CN1C1CCN(C)CC1.
What is the InChIKey of 2,5-diethyl-5-methyl-1-(1-methylpiperidin-4-yl)piperazine?
The InChIKey is XYLCEFMAZSHQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-5-13-11-16-15(3,6-2)12-18(13)14-7-9-17(4)10-8-14/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 2,5-diethyl-5-methyl-1-(1-methylpiperidin-4-yl)piperazine?
2,5-diethyl-5-methyl-1-(1-methylpiperidin-4-yl)piperazine has a molecular weight of 253.43 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-5-methyl-1-(1-methylpiperidin-4-yl)piperazine is sourced from PubChem (CID 64935587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).