2,5-diethyl-5-methyl-1-prop-2-ynylpiperazine

C12H22N2 — CID 64933219

IUPAC2,5-diethyl-5-methyl-1-prop-2-ynylpiperazine
SMILESC#CCN1CC(C)(CC)NCC1CC
InChIInChI=1S/C12H22N2/c1-5-8-14-10-12(4,7-3)13-9-11(14)6-2/h1,11,13H,6-10H2,2-4H3
InChIKeyUCKGBAGKSWIHIM-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.47
Rot. Bonds3

About 2,5-diethyl-5-methyl-1-prop-2-ynylpiperazine

2,5-diethyl-5-methyl-1-prop-2-ynylpiperazine (PubChem CID 64933219) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2,5-diethyl-5-methyl-1-prop-2-ynylpiperazine.

Molecular Properties

Compound Name2,5-diethyl-5-methyl-1-prop-2-ynylpiperazine
PubChem CID64933219
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2,5-diethyl-5-methyl-1-prop-2-ynylpiperazine
SMILESC#CCN1CC(C)(CC)NCC1CC
InChIInChI=1S/C12H22N2/c1-5-8-14-10-12(4,7-3)13-9-11(14)6-2/h1,11,13H,6-10H2,2-4H3
InChIKeyUCKGBAGKSWIHIM-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-5-methyl-1-prop-2-ynylpiperazine?
The IUPAC name of 2,5-diethyl-5-methyl-1-prop-2-ynylpiperazine (CID 64933219) is 2,5-diethyl-5-methyl-1-prop-2-ynylpiperazine.
What is the SMILES notation for 2,5-diethyl-5-methyl-1-prop-2-ynylpiperazine?
The canonical SMILES for 2,5-diethyl-5-methyl-1-prop-2-ynylpiperazine is C#CCN1CC(C)(CC)NCC1CC.
What is the InChIKey of 2,5-diethyl-5-methyl-1-prop-2-ynylpiperazine?
The InChIKey is UCKGBAGKSWIHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-8-14-10-12(4,7-3)13-9-11(14)6-2/h1,11,13H,6-10H2,2-4H3.
What are the key properties of 2,5-diethyl-5-methyl-1-prop-2-ynylpiperazine?
2,5-diethyl-5-methyl-1-prop-2-ynylpiperazine has a molecular weight of 194.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-5-methyl-1-prop-2-ynylpiperazine is sourced from PubChem (CID 64933219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).