1-(2-methylbut-3-yn-2-yl)-4-(2-phenoxyethyl)piperazine

C17H24N2O — CID 146141999

IUPAC1-(2-methylbut-3-yn-2-yl)-4-(2-phenoxyethyl)piperazine
SMILESC#CC(C)(C)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C17H24N2O/c1-4-17(2,3)19-12-10-18(11-13-19)14-15-20-16-8-6-5-7-9-16/h1,5-9H,10-15H2,2-3H3
InChIKeyZDJBZYFAIZWJKV-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.09
Rot. Bonds5

About 1-(2-methylbut-3-yn-2-yl)-4-(2-phenoxyethyl)piperazine

1-(2-methylbut-3-yn-2-yl)-4-(2-phenoxyethyl)piperazine (PubChem CID 146141999) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(2-methylbut-3-yn-2-yl)-4-(2-phenoxyethyl)piperazine.

Molecular Properties

Compound Name1-(2-methylbut-3-yn-2-yl)-4-(2-phenoxyethyl)piperazine
PubChem CID146141999
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(2-methylbut-3-yn-2-yl)-4-(2-phenoxyethyl)piperazine
SMILESC#CC(C)(C)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C17H24N2O/c1-4-17(2,3)19-12-10-18(11-13-19)14-15-20-16-8-6-5-7-9-16/h1,5-9H,10-15H2,2-3H3
InChIKeyZDJBZYFAIZWJKV-UHFFFAOYSA-N
XLogP2.09
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]propanenitrile
CID 63340060
2-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-amine
CID 63343974
1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine
CID 80674242
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
1-(2-chloroethyl)-4-(2-phenoxyethyl)-1,4-diazepane
CID 63387533
1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine
CID 78792856
1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine
CID 56785924
1-(2-phenoxyethyl)piperidin-4-one
CID 70278679
1-ethyl-4-(3-phenoxypropyl)piperazine
CID 51072960
N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine
CID 19018032
1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbut-3-yn-2-yl)-4-(2-phenoxyethyl)piperazine?
The IUPAC name of 1-(2-methylbut-3-yn-2-yl)-4-(2-phenoxyethyl)piperazine (CID 146141999) is 1-(2-methylbut-3-yn-2-yl)-4-(2-phenoxyethyl)piperazine.
What is the SMILES notation for 1-(2-methylbut-3-yn-2-yl)-4-(2-phenoxyethyl)piperazine?
The canonical SMILES for 1-(2-methylbut-3-yn-2-yl)-4-(2-phenoxyethyl)piperazine is C#CC(C)(C)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 1-(2-methylbut-3-yn-2-yl)-4-(2-phenoxyethyl)piperazine?
The InChIKey is ZDJBZYFAIZWJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-17(2,3)19-12-10-18(11-13-19)14-15-20-16-8-6-5-7-9-16/h1,5-9H,10-15H2,2-3H3.
What are the key properties of 1-(2-methylbut-3-yn-2-yl)-4-(2-phenoxyethyl)piperazine?
1-(2-methylbut-3-yn-2-yl)-4-(2-phenoxyethyl)piperazine has a molecular weight of 272.39 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbut-3-yn-2-yl)-4-(2-phenoxyethyl)piperazine is sourced from PubChem (CID 146141999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).