5,5-diethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine

C18H31N3 — CID 64860440

IUPAC5,5-diethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine
SMILESCCC1(CC)CN(Cc2ccncc2)C(CC(C)C)CN1
InChIInChI=1S/C18H31N3/c1-5-18(6-2)14-21(13-16-7-9-19-10-8-16)17(12-20-18)11-15(3)4/h7-10,15,17,20H,5-6,11-14H2,1-4H3
InChIKeyZEURECXEYSHQEE-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.46
Rot. Bonds6

About 5,5-diethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine

5,5-diethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine (PubChem CID 64860440) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 5,5-diethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name5,5-diethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine
PubChem CID64860440
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name5,5-diethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine
SMILESCCC1(CC)CN(Cc2ccncc2)C(CC(C)C)CN1
InChIInChI=1S/C18H31N3/c1-5-18(6-2)14-21(13-16-7-9-19-10-8-16)17(12-20-18)11-15(3)4/h7-10,15,17,20H,5-6,11-14H2,1-4H3
InChIKeyZEURECXEYSHQEE-UHFFFAOYSA-N
XLogP3.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine
CID 64838551
1-[(4-chlorophenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine
CID 64837785
5,5-diethyl-1-(2-methylbutyl)-2-(2-methylpropyl)piperazine
CID 64862556
5,5-diethyl-2-(2-methylpropyl)-1-(2-propan-2-yloxyethyl)piperazine
CID 64860823
1-[(E)-but-2-enyl]-5,5-diethyl-2-(2-methylpropyl)piperazine
CID 114013955
1-(3,3-dimethylbutyl)-5,5-diethyl-2-(2-methylpropyl)piperazine
CID 64860054
2,5,5-triethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 114957678
5,5-diethyl-2-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
CID 64860633
2-benzyl-5,5-diethyl-1-(2-methylpropyl)piperazine
CID 64861605
2,5,5-triethyl-1-(pyridin-2-ylmethyl)piperazine
CID 64861194
1-benzyl-5,5-diethyl-2-methylpiperazine
CID 64862341
5,5-diethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64860612

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 5,5-diethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine (CID 64860440) is 5,5-diethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 5,5-diethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 5,5-diethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine is CCC1(CC)CN(Cc2ccncc2)C(CC(C)C)CN1.
What is the InChIKey of 5,5-diethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine?
The InChIKey is ZEURECXEYSHQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-18(6-2)14-21(13-16-7-9-19-10-8-16)17(12-20-18)11-15(3)4/h7-10,15,17,20H,5-6,11-14H2,1-4H3.
What are the key properties of 5,5-diethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine?
5,5-diethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine has a molecular weight of 289.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 64860440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).