2-ethyl-5-(2-methylpropyl)-1-(4-methyl-3-pyridinyl)piperazine

C16H27N3 — CID 64941203

IUPAC2-ethyl-5-(2-methylpropyl)-1-(4-methyl-3-pyridinyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1c1cnccc1C
InChIInChI=1S/C16H27N3/c1-5-15-9-18-14(8-12(2)3)11-19(15)16-10-17-7-6-13(16)4/h6-7,10,12,14-15,18H,5,8-9,11H2,1-4H3
InChIKeyZDRQWRIODMNABV-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.99
Rot. Bonds4

About 2-ethyl-5-(2-methylpropyl)-1-(4-methyl-3-pyridinyl)piperazine

2-ethyl-5-(2-methylpropyl)-1-(4-methyl-3-pyridinyl)piperazine (PubChem CID 64941203) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-ethyl-5-(2-methylpropyl)-1-(4-methyl-3-pyridinyl)piperazine.

Molecular Properties

Compound Name2-ethyl-5-(2-methylpropyl)-1-(4-methyl-3-pyridinyl)piperazine
PubChem CID64941203
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-ethyl-5-(2-methylpropyl)-1-(4-methyl-3-pyridinyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1c1cnccc1C
InChIInChI=1S/C16H27N3/c1-5-15-9-18-14(8-12(2)3)11-19(15)16-10-17-7-6-13(16)4/h6-7,10,12,14-15,18H,5,8-9,11H2,1-4H3
InChIKeyZDRQWRIODMNABV-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 102807507
1-(3-chloro-2-methylphenyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64936226
2-ethyl-1-(2-fluoro-4-methylphenyl)-5-(2-methylpropyl)piperazine
CID 64934982
2-ethyl-1-(2-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64932153
1-(2,6-dibromophenyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 107603860
2-ethyl-1-(4-fluoro-2-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64945930
2-ethyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64930546
4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-2-methylpyrimidine
CID 64946749
1-(2,5-dimethylphenyl)-2,5-diethylpiperazine
CID 64931944
2-ethyl-1-(3-iodophenyl)-5-(2-methylpropyl)piperazine
CID 64934538
5-(2-methylpropyl)-2-propyl-1-(pyridin-3-ylmethyl)piperazine
CID 64847577
2-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-(2-methylpropyl)piperazine
CID 64849690

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-methylpropyl)-1-(4-methyl-3-pyridinyl)piperazine?
The IUPAC name of 2-ethyl-5-(2-methylpropyl)-1-(4-methyl-3-pyridinyl)piperazine (CID 64941203) is 2-ethyl-5-(2-methylpropyl)-1-(4-methyl-3-pyridinyl)piperazine.
What is the SMILES notation for 2-ethyl-5-(2-methylpropyl)-1-(4-methyl-3-pyridinyl)piperazine?
The canonical SMILES for 2-ethyl-5-(2-methylpropyl)-1-(4-methyl-3-pyridinyl)piperazine is CCC1CNC(CC(C)C)CN1c1cnccc1C.
What is the InChIKey of 2-ethyl-5-(2-methylpropyl)-1-(4-methyl-3-pyridinyl)piperazine?
The InChIKey is ZDRQWRIODMNABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-5-15-9-18-14(8-12(2)3)11-19(15)16-10-17-7-6-13(16)4/h6-7,10,12,14-15,18H,5,8-9,11H2,1-4H3.
What are the key properties of 2-ethyl-5-(2-methylpropyl)-1-(4-methyl-3-pyridinyl)piperazine?
2-ethyl-5-(2-methylpropyl)-1-(4-methyl-3-pyridinyl)piperazine has a molecular weight of 261.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-methylpropyl)-1-(4-methyl-3-pyridinyl)piperazine is sourced from PubChem (CID 64941203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).