1-but-1-en-2-yl-4-(5-methylhex-3-ynyl)piperazine

C15H26N2 — CID 166753127

IUPAC1-but-1-en-2-yl-4-(5-methylhex-3-ynyl)piperazine
SMILESC=C(CC)N1CCN(CCC#CC(C)C)CC1
InChIInChI=1S/C15H26N2/c1-5-15(4)17-12-10-16(11-13-17)9-7-6-8-14(2)3/h14H,4-5,7,9-13H2,1-3H3
InChIKeyCWKYEFLRZAOUEO-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.58
Rot. Bonds4

About 1-but-1-en-2-yl-4-(5-methylhex-3-ynyl)piperazine

1-but-1-en-2-yl-4-(5-methylhex-3-ynyl)piperazine (PubChem CID 166753127) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-but-1-en-2-yl-4-(5-methylhex-3-ynyl)piperazine.

Molecular Properties

Compound Name1-but-1-en-2-yl-4-(5-methylhex-3-ynyl)piperazine
PubChem CID166753127
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-but-1-en-2-yl-4-(5-methylhex-3-ynyl)piperazine
SMILESC=C(CC)N1CCN(CCC#CC(C)C)CC1
InChIInChI=1S/C15H26N2/c1-5-15(4)17-12-10-16(11-13-17)9-7-6-8-14(2)3/h14H,4-5,7,9-13H2,1-3H3
InChIKeyCWKYEFLRZAOUEO-UHFFFAOYSA-N
XLogP2.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.58
H-Bond Donors ≤ 50
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-1-en-2-yl-4-(5-methylhex-3-ynyl)piperazine?
The IUPAC name of 1-but-1-en-2-yl-4-(5-methylhex-3-ynyl)piperazine (CID 166753127) is 1-but-1-en-2-yl-4-(5-methylhex-3-ynyl)piperazine.
What is the SMILES notation for 1-but-1-en-2-yl-4-(5-methylhex-3-ynyl)piperazine?
The canonical SMILES for 1-but-1-en-2-yl-4-(5-methylhex-3-ynyl)piperazine is C=C(CC)N1CCN(CCC#CC(C)C)CC1.
What is the InChIKey of 1-but-1-en-2-yl-4-(5-methylhex-3-ynyl)piperazine?
The InChIKey is CWKYEFLRZAOUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-15(4)17-12-10-16(11-13-17)9-7-6-8-14(2)3/h14H,4-5,7,9-13H2,1-3H3.
What are the key properties of 1-but-1-en-2-yl-4-(5-methylhex-3-ynyl)piperazine?
1-but-1-en-2-yl-4-(5-methylhex-3-ynyl)piperazine has a molecular weight of 234.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-4-(5-methylhex-3-ynyl)piperazine is sourced from PubChem (CID 166753127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).