1-(3-methylpentan-3-yl)-3-propylpiperazine

C13H28N2 — CID 106329754

IUPAC1-(3-methylpentan-3-yl)-3-propylpiperazine
SMILESCCCC1CN(C(C)(CC)CC)CCN1
InChIInChI=1S/C13H28N2/c1-5-8-12-11-15(10-9-14-12)13(4,6-2)7-3/h12,14H,5-11H2,1-4H3
InChIKeyMEKLYPPJZLNCQX-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.64
Rot. Bonds5

About 1-(3-methylpentan-3-yl)-3-propylpiperazine

1-(3-methylpentan-3-yl)-3-propylpiperazine (PubChem CID 106329754) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-(3-methylpentan-3-yl)-3-propylpiperazine.

Molecular Properties

Compound Name1-(3-methylpentan-3-yl)-3-propylpiperazine
PubChem CID106329754
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-(3-methylpentan-3-yl)-3-propylpiperazine
SMILESCCCC1CN(C(C)(CC)CC)CCN1
InChIInChI=1S/C13H28N2/c1-5-8-12-11-15(10-9-14-12)13(4,6-2)7-3/h12,14H,5-11H2,1-4H3
InChIKeyMEKLYPPJZLNCQX-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(3-methylpentan-3-yl)-1,4-diazepane
CID 106329845
1-(2,2-dimethylpropyl)-3-propylpiperazine
CID 64925908
3-propyl-1-(4-propylcyclohexyl)piperazine
CID 64926746
1-(2-tert-butylsulfonylethyl)-3-propylpiperazine
CID 106732688
3-ethyl-1-(2-methylbut-3-yn-2-yl)piperazine
CID 64954825
1-(azetidin-3-yl)-3-propylpiperazine;hydrochloride
CID 131203794
1-cyclooctyl-3-propylpiperazine
CID 64924184
1-(3-methylpentan-3-yl)-3-propan-2-yl-1,4-diazepane
CID 106329785
1,3-dipropyl-1,4-diazepane
CID 64870092
1-heptan-2-yl-3-propylpiperazine
CID 64924539
1-octan-4-yl-3-propylpiperazine
CID 114138506
2-ethyl-1-(3-ethylpentan-3-yl)-5-propylpiperazine
CID 65043639

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentan-3-yl)-3-propylpiperazine?
The IUPAC name of 1-(3-methylpentan-3-yl)-3-propylpiperazine (CID 106329754) is 1-(3-methylpentan-3-yl)-3-propylpiperazine.
What is the SMILES notation for 1-(3-methylpentan-3-yl)-3-propylpiperazine?
The canonical SMILES for 1-(3-methylpentan-3-yl)-3-propylpiperazine is CCCC1CN(C(C)(CC)CC)CCN1.
What is the InChIKey of 1-(3-methylpentan-3-yl)-3-propylpiperazine?
The InChIKey is MEKLYPPJZLNCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-8-12-11-15(10-9-14-12)13(4,6-2)7-3/h12,14H,5-11H2,1-4H3.
What are the key properties of 1-(3-methylpentan-3-yl)-3-propylpiperazine?
1-(3-methylpentan-3-yl)-3-propylpiperazine has a molecular weight of 212.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentan-3-yl)-3-propylpiperazine is sourced from PubChem (CID 106329754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).