1-(3-ethylpentan-3-yl)-2,5-di(propan-2-yl)piperazine

C17H36N2 — CID 65043346

IUPAC1-(3-ethylpentan-3-yl)-2,5-di(propan-2-yl)piperazine
SMILESCCC(CC)(CC)N1CC(C(C)C)NCC1C(C)C
InChIInChI=1S/C17H36N2/c1-8-17(9-2,10-3)19-12-15(13(4)5)18-11-16(19)14(6)7/h13-16,18H,8-12H2,1-7H3
InChIKeyFTESHQCNFFWSKA-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds6

About 1-(3-ethylpentan-3-yl)-2,5-di(propan-2-yl)piperazine

1-(3-ethylpentan-3-yl)-2,5-di(propan-2-yl)piperazine (PubChem CID 65043346) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-(3-ethylpentan-3-yl)-2,5-di(propan-2-yl)piperazine.

Molecular Properties

Compound Name1-(3-ethylpentan-3-yl)-2,5-di(propan-2-yl)piperazine
PubChem CID65043346
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-(3-ethylpentan-3-yl)-2,5-di(propan-2-yl)piperazine
SMILESCCC(CC)(CC)N1CC(C(C)C)NCC1C(C)C
InChIInChI=1S/C17H36N2/c1-8-17(9-2,10-3)19-12-15(13(4)5)18-11-16(19)14(6)7/h13-16,18H,8-12H2,1-7H3
InChIKeyFTESHQCNFFWSKA-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopentylethyl)-2,5-di(propan-2-yl)piperazine
CID 64936479
1-(3,3-dimethylbutan-2-yl)-2,5-di(propan-2-yl)piperazine
CID 104830217
1-cyclopropyl-2,5-di(propan-2-yl)piperazine
CID 64954463
1-cycloheptyl-2,5-di(propan-2-yl)piperazine
CID 64936529
2,5-di(propan-2-yl)-1-prop-2-ynylpiperazine
CID 64937920
1-(2,2-dimethylcyclopropyl)-2,5-di(propan-2-yl)piperazine
CID 64939305
1-(2-cyclopentyloxyethyl)-2,5-di(propan-2-yl)piperazine
CID 64938773
2,5-di(propan-2-yl)-1-(3-propoxypropyl)piperazine
CID 82947777
2,5-di(propan-2-yl)-1-(2-propylsulfonylethyl)piperazine
CID 106732887
1-(4-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine
CID 64952074
1-(2-piperidin-1-ylethyl)-2,5-di(propan-2-yl)piperazine
CID 82249272
2-ethyl-5-propan-2-yl-1-(2,2,3-trimethylbutyl)piperazine
CID 114102126

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpentan-3-yl)-2,5-di(propan-2-yl)piperazine?
The IUPAC name of 1-(3-ethylpentan-3-yl)-2,5-di(propan-2-yl)piperazine (CID 65043346) is 1-(3-ethylpentan-3-yl)-2,5-di(propan-2-yl)piperazine.
What is the SMILES notation for 1-(3-ethylpentan-3-yl)-2,5-di(propan-2-yl)piperazine?
The canonical SMILES for 1-(3-ethylpentan-3-yl)-2,5-di(propan-2-yl)piperazine is CCC(CC)(CC)N1CC(C(C)C)NCC1C(C)C.
What is the InChIKey of 1-(3-ethylpentan-3-yl)-2,5-di(propan-2-yl)piperazine?
The InChIKey is FTESHQCNFFWSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-8-17(9-2,10-3)19-12-15(13(4)5)18-11-16(19)14(6)7/h13-16,18H,8-12H2,1-7H3.
What are the key properties of 1-(3-ethylpentan-3-yl)-2,5-di(propan-2-yl)piperazine?
1-(3-ethylpentan-3-yl)-2,5-di(propan-2-yl)piperazine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpentan-3-yl)-2,5-di(propan-2-yl)piperazine is sourced from PubChem (CID 65043346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).