1-methyl-4-undec-10-enylpiperazine

C16H32N2 — CID 21399233

IUPAC1-methyl-4-undec-10-enylpiperazine
SMILESC=CCCCCCCCCCN1CCN(C)CC1
InChIInChI=1S/C16H32N2/c1-3-4-5-6-7-8-9-10-11-12-18-15-13-17(2)14-16-18/h3H,1,4-16H2,2H3
InChIKeyVQZOWWPEPPXQAE-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.54
Rot. Bonds10

About 1-methyl-4-undec-10-enylpiperazine

1-methyl-4-undec-10-enylpiperazine (PubChem CID 21399233) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-methyl-4-undec-10-enylpiperazine.

Molecular Properties

Compound Name1-methyl-4-undec-10-enylpiperazine
PubChem CID21399233
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-methyl-4-undec-10-enylpiperazine
SMILESC=CCCCCCCCCCN1CCN(C)CC1
InChIInChI=1S/C16H32N2/c1-3-4-5-6-7-8-9-10-11-12-18-15-13-17(2)14-16-18/h3H,1,4-16H2,2H3
InChIKeyVQZOWWPEPPXQAE-UHFFFAOYSA-N
XLogP3.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-undec-10-enylpiperazine?
The IUPAC name of 1-methyl-4-undec-10-enylpiperazine (CID 21399233) is 1-methyl-4-undec-10-enylpiperazine.
What is the SMILES notation for 1-methyl-4-undec-10-enylpiperazine?
The canonical SMILES for 1-methyl-4-undec-10-enylpiperazine is C=CCCCCCCCCCN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-undec-10-enylpiperazine?
The InChIKey is VQZOWWPEPPXQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-4-5-6-7-8-9-10-11-12-18-15-13-17(2)14-16-18/h3H,1,4-16H2,2H3.
What are the key properties of 1-methyl-4-undec-10-enylpiperazine?
1-methyl-4-undec-10-enylpiperazine has a molecular weight of 252.45 g/mol, XLogP of 3.54, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-undec-10-enylpiperazine is sourced from PubChem (CID 21399233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).