2-ethyl-5-propan-2-yl-1-prop-2-ynylpiperazine

C12H22N2 — CID 64937339

IUPAC2-ethyl-5-propan-2-yl-1-prop-2-ynylpiperazine
SMILESC#CCN1CC(C(C)C)NCC1CC
InChIInChI=1S/C12H22N2/c1-5-7-14-9-12(10(3)4)13-8-11(14)6-2/h1,10-13H,6-9H2,2-4H3
InChIKeyKDKMDQDTARACBM-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.33
Rot. Bonds3

About 2-ethyl-5-propan-2-yl-1-prop-2-ynylpiperazine

2-ethyl-5-propan-2-yl-1-prop-2-ynylpiperazine (PubChem CID 64937339) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-ethyl-5-propan-2-yl-1-prop-2-ynylpiperazine.

Molecular Properties

Compound Name2-ethyl-5-propan-2-yl-1-prop-2-ynylpiperazine
PubChem CID64937339
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-ethyl-5-propan-2-yl-1-prop-2-ynylpiperazine
SMILESC#CCN1CC(C(C)C)NCC1CC
InChIInChI=1S/C12H22N2/c1-5-7-14-9-12(10(3)4)13-8-11(14)6-2/h1,10-13H,6-9H2,2-4H3
InChIKeyKDKMDQDTARACBM-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-propan-2-yl-1-prop-2-ynylpiperazine
CID 64937731
2,5-di(propan-2-yl)-1-prop-2-ynylpiperazine
CID 64937920
2-ethyl-1-hexyl-5-propan-2-ylpiperazine
CID 64833921
2-ethyl-5-propan-2-yl-1-(2,2,3-trimethylbutyl)piperazine
CID 114102126
2-ethyl-1-[(2-methylcyclopentyl)methyl]-5-propan-2-ylpiperazine
CID 107420868
1-(4,4-dimethylpentyl)-2-ethyl-5-propan-2-ylpiperazine
CID 114210392
2-ethyl-1-[(2-methyloxolan-3-yl)methyl]-5-propan-2-ylpiperazine
CID 114106374
2-ethyl-1-(3-ethylsulfonylpropyl)-5-propan-2-ylpiperazine
CID 65097314
2-ethyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpiperazine
CID 64832516
1-(2-butoxyethyl)-2-ethyl-5-propan-2-ylpiperazine
CID 64834120
3-[(2-ethyl-5-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 64938538
2-ethyl-1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazine
CID 64831533

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propan-2-yl-1-prop-2-ynylpiperazine?
The IUPAC name of 2-ethyl-5-propan-2-yl-1-prop-2-ynylpiperazine (CID 64937339) is 2-ethyl-5-propan-2-yl-1-prop-2-ynylpiperazine.
What is the SMILES notation for 2-ethyl-5-propan-2-yl-1-prop-2-ynylpiperazine?
The canonical SMILES for 2-ethyl-5-propan-2-yl-1-prop-2-ynylpiperazine is C#CCN1CC(C(C)C)NCC1CC.
What is the InChIKey of 2-ethyl-5-propan-2-yl-1-prop-2-ynylpiperazine?
The InChIKey is KDKMDQDTARACBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-7-14-9-12(10(3)4)13-8-11(14)6-2/h1,10-13H,6-9H2,2-4H3.
What are the key properties of 2-ethyl-5-propan-2-yl-1-prop-2-ynylpiperazine?
2-ethyl-5-propan-2-yl-1-prop-2-ynylpiperazine has a molecular weight of 194.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propan-2-yl-1-prop-2-ynylpiperazine is sourced from PubChem (CID 64937339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).