1-but-3-ynyl-4-methylpiperazine

C9H16N2 — CID 11593463

IUPAC1-but-3-ynyl-4-methylpiperazine
SMILESC#CCCN1CCN(C)CC1
InChIInChI=1S/C9H16N2/c1-3-4-5-11-8-6-10(2)7-9-11/h1H,4-9H2,2H3
InChIKeyGZBWIJDICIGGKJ-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.26
Rot. Bonds2

About 1-but-3-ynyl-4-methylpiperazine

1-but-3-ynyl-4-methylpiperazine (PubChem CID 11593463) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-but-3-ynyl-4-methylpiperazine.

Molecular Properties

Compound Name1-but-3-ynyl-4-methylpiperazine
PubChem CID11593463
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-but-3-ynyl-4-methylpiperazine
SMILESC#CCCN1CCN(C)CC1
InChIInChI=1S/C9H16N2/c1-3-4-5-11-8-6-10(2)7-9-11/h1H,4-9H2,2H3
InChIKeyGZBWIJDICIGGKJ-UHFFFAOYSA-N
XLogP0.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-(prop-2-yn-1-yl)piperazine
CID 13514091
1,4-Di(prop-2-yn-1-yl)piperazine
CID 85768912
1,4-Piperazinediethanamine, beta,beta'-dimethyl-
CID 3086049
1-Methyl-4-prop-2-ynylpiperazine;hydrobromide
CID 45261406
1-Methyl-4-propyl-piperazine
CID 12566798
4-(But-3-yn-1-yl)-1,2,2-trimethylpiperazine
CID 63657846
1-but-3-ynyl-4-(3-(18F)fluoropropyl)piperazine
CID 134330325
1,4-Di(octa-2,7-diyn-1-yl)piperazine
CID 138757026
1,4-Di(nona-2,8-diyn-1-yl)piperazine
CID 138757079
1-Hex-2-ynyl-4-methylpiperazine
CID 5233595
1-Ethyl-4-propylpiperazine
CID 20069861
N,N-dimethyl-2-(4-propylpiperazin-1-yl)ethanamine
CID 57577760

Frequently Asked Questions

What is the IUPAC name of 1-but-3-ynyl-4-methylpiperazine?
The IUPAC name of 1-but-3-ynyl-4-methylpiperazine (CID 11593463) is 1-but-3-ynyl-4-methylpiperazine.
What is the SMILES notation for 1-but-3-ynyl-4-methylpiperazine?
The canonical SMILES for 1-but-3-ynyl-4-methylpiperazine is C#CCCN1CCN(C)CC1.
What is the InChIKey of 1-but-3-ynyl-4-methylpiperazine?
The InChIKey is GZBWIJDICIGGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-4-5-11-8-6-10(2)7-9-11/h1H,4-9H2,2H3.
What are the key properties of 1-but-3-ynyl-4-methylpiperazine?
1-but-3-ynyl-4-methylpiperazine has a molecular weight of 152.24 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-ynyl-4-methylpiperazine is sourced from PubChem (CID 11593463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).