1-but-3-ynyl-5-methyl-2-propan-2-ylpiperazine

C12H22N2 — CID 64939157

IUPAC1-but-3-ynyl-5-methyl-2-propan-2-ylpiperazine
SMILESC#CCCN1CC(C)NCC1C(C)C
InChIInChI=1S/C12H22N2/c1-5-6-7-14-9-11(4)13-8-12(14)10(2)3/h1,10-13H,6-9H2,2-4H3
InChIKeyBEYOEBMCUJQWKZ-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.33
Rot. Bonds3

About 1-but-3-ynyl-5-methyl-2-propan-2-ylpiperazine

1-but-3-ynyl-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64939157) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-but-3-ynyl-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-but-3-ynyl-5-methyl-2-propan-2-ylpiperazine
PubChem CID64939157
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-but-3-ynyl-5-methyl-2-propan-2-ylpiperazine
SMILESC#CCCN1CC(C)NCC1C(C)C
InChIInChI=1S/C12H22N2/c1-5-6-7-14-9-11(4)13-8-12(14)10(2)3/h1,10-13H,6-9H2,2-4H3
InChIKeyBEYOEBMCUJQWKZ-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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Frequently Asked Questions

What is the IUPAC name of 1-but-3-ynyl-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-but-3-ynyl-5-methyl-2-propan-2-ylpiperazine (CID 64939157) is 1-but-3-ynyl-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-but-3-ynyl-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-but-3-ynyl-5-methyl-2-propan-2-ylpiperazine is C#CCCN1CC(C)NCC1C(C)C.
What is the InChIKey of 1-but-3-ynyl-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is BEYOEBMCUJQWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-6-7-14-9-11(4)13-8-12(14)10(2)3/h1,10-13H,6-9H2,2-4H3.
What are the key properties of 1-but-3-ynyl-5-methyl-2-propan-2-ylpiperazine?
1-but-3-ynyl-5-methyl-2-propan-2-ylpiperazine 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 1-but-3-ynyl-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64939157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).