3-ethyl-1-(2-methylpentan-3-yl)piperazine

C12H26N2 — CID 64925321

IUPAC3-ethyl-1-(2-methylpentan-3-yl)piperazine
SMILESCCC1CN(C(CC)C(C)C)CCN1
InChIInChI=1S/C12H26N2/c1-5-11-9-14(8-7-13-11)12(6-2)10(3)4/h10-13H,5-9H2,1-4H3
InChIKeyXOTUVVHLCIVKDP-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.10
Rot. Bonds4

About 3-ethyl-1-(2-methylpentan-3-yl)piperazine

3-ethyl-1-(2-methylpentan-3-yl)piperazine (PubChem CID 64925321) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-ethyl-1-(2-methylpentan-3-yl)piperazine.

Molecular Properties

Compound Name3-ethyl-1-(2-methylpentan-3-yl)piperazine
PubChem CID64925321
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name3-ethyl-1-(2-methylpentan-3-yl)piperazine
SMILESCCC1CN(C(CC)C(C)C)CCN1
InChIInChI=1S/C12H26N2/c1-5-11-9-14(8-7-13-11)12(6-2)10(3)4/h10-13H,5-9H2,1-4H3
InChIKeyXOTUVVHLCIVKDP-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-but-3-yn-2-yl-3-ethylpiperazine
CID 114420428
3-ethyl-1-(4-methoxybutan-2-yl)piperazine
CID 64953453
3-ethyl-1-pentan-3-yl-1,4-diazepane
CID 64943503
3-ethyl-1-[1-(oxolan-2-yl)ethyl]piperazine
CID 64924459
3-ethyl-1-(4-methylpentan-2-yl)-1,4-diazepane
CID 64944715
3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979
3-ethyl-1-(6-methylheptan-2-yl)-1,4-diazepane
CID 64945203
3-ethyl-1-(1-methylazetidin-3-yl)piperazine
CID 131042809
3-ethyl-1-(1-methylsulfonylpropan-2-yl)-1,4-diazepane
CID 64950632
1-heptan-2-yl-3-propylpiperazine
CID 64924539
5-ethyl-1-(1-pyridin-4-ylethyl)-1,4-diazepane
CID 54972784
1-(2,3-dimethylcyclobutyl)-3-ethylpiperazine
CID 131183160

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methylpentan-3-yl)piperazine?
The IUPAC name of 3-ethyl-1-(2-methylpentan-3-yl)piperazine (CID 64925321) is 3-ethyl-1-(2-methylpentan-3-yl)piperazine.
What is the SMILES notation for 3-ethyl-1-(2-methylpentan-3-yl)piperazine?
The canonical SMILES for 3-ethyl-1-(2-methylpentan-3-yl)piperazine is CCC1CN(C(CC)C(C)C)CCN1.
What is the InChIKey of 3-ethyl-1-(2-methylpentan-3-yl)piperazine?
The InChIKey is XOTUVVHLCIVKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-11-9-14(8-7-13-11)12(6-2)10(3)4/h10-13H,5-9H2,1-4H3.
What are the key properties of 3-ethyl-1-(2-methylpentan-3-yl)piperazine?
3-ethyl-1-(2-methylpentan-3-yl)piperazine has a molecular weight of 198.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methylpentan-3-yl)piperazine is sourced from PubChem (CID 64925321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).