1-but-1-en-2-yl-4-(7-methyloctyl)piperazine

C17H34N2 — CID 156860709

IUPAC1-but-1-en-2-yl-4-(7-methyloctyl)piperazine
SMILESC=C(CC)N1CCN(CCCCCCC(C)C)CC1
InChIInChI=1S/C17H34N2/c1-5-17(4)19-14-12-18(13-15-19)11-9-7-6-8-10-16(2)3/h16H,4-15H2,1-3H3
InChIKeyBHTGQGUDODGVEK-UHFFFAOYSA-N
MW266.47 g/mol
LogP4.13
Rot. Bonds9

About 1-but-1-en-2-yl-4-(7-methyloctyl)piperazine

1-but-1-en-2-yl-4-(7-methyloctyl)piperazine (PubChem CID 156860709) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-but-1-en-2-yl-4-(7-methyloctyl)piperazine.

Molecular Properties

Compound Name1-but-1-en-2-yl-4-(7-methyloctyl)piperazine
PubChem CID156860709
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-but-1-en-2-yl-4-(7-methyloctyl)piperazine
SMILESC=C(CC)N1CCN(CCCCCCC(C)C)CC1
InChIInChI=1S/C17H34N2/c1-5-17(4)19-14-12-18(13-15-19)11-9-7-6-8-10-16(2)3/h16H,4-15H2,1-3H3
InChIKeyBHTGQGUDODGVEK-UHFFFAOYSA-N
XLogP4.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-4-(7-methyloctyl)piperazine?
The IUPAC name of 1-but-1-en-2-yl-4-(7-methyloctyl)piperazine (CID 156860709) is 1-but-1-en-2-yl-4-(7-methyloctyl)piperazine.
What is the SMILES notation for 1-but-1-en-2-yl-4-(7-methyloctyl)piperazine?
The canonical SMILES for 1-but-1-en-2-yl-4-(7-methyloctyl)piperazine is C=C(CC)N1CCN(CCCCCCC(C)C)CC1.
What is the InChIKey of 1-but-1-en-2-yl-4-(7-methyloctyl)piperazine?
The InChIKey is BHTGQGUDODGVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-17(4)19-14-12-18(13-15-19)11-9-7-6-8-10-16(2)3/h16H,4-15H2,1-3H3.
What are the key properties of 1-but-1-en-2-yl-4-(7-methyloctyl)piperazine?
1-but-1-en-2-yl-4-(7-methyloctyl)piperazine has a molecular weight of 266.47 g/mol, XLogP of 4.13, 9 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-(7-methyloctyl)piperazine is sourced from PubChem (CID 156860709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).