1-tridec-1-en-2-ylpiperazine

C17H34N2 — CID 142217059

IUPAC1-tridec-1-en-2-ylpiperazine
SMILESC=C(CCCCCCCCCCC)N1CCNCC1
InChIInChI=1S/C17H34N2/c1-3-4-5-6-7-8-9-10-11-12-17(2)19-15-13-18-14-16-19/h18H,2-16H2,1H3
InChIKeyATOINPWNOFPFTP-UHFFFAOYSA-N
MW266.47 g/mol
LogP4.33
Rot. Bonds11

About 1-tridec-1-en-2-ylpiperazine

1-tridec-1-en-2-ylpiperazine (PubChem CID 142217059) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-tridec-1-en-2-ylpiperazine.

Molecular Properties

Compound Name1-tridec-1-en-2-ylpiperazine
PubChem CID142217059
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-tridec-1-en-2-ylpiperazine
SMILESC=C(CCCCCCCCCCC)N1CCNCC1
InChIInChI=1S/C17H34N2/c1-3-4-5-6-7-8-9-10-11-12-17(2)19-15-13-18-14-16-19/h18H,2-16H2,1H3
InChIKeyATOINPWNOFPFTP-UHFFFAOYSA-N
XLogP4.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
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-tridec-1-en-2-ylpiperazine?
The IUPAC name of 1-tridec-1-en-2-ylpiperazine (CID 142217059) is 1-tridec-1-en-2-ylpiperazine.
What is the SMILES notation for 1-tridec-1-en-2-ylpiperazine?
The canonical SMILES for 1-tridec-1-en-2-ylpiperazine is C=C(CCCCCCCCCCC)N1CCNCC1.
What is the InChIKey of 1-tridec-1-en-2-ylpiperazine?
The InChIKey is ATOINPWNOFPFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-4-5-6-7-8-9-10-11-12-17(2)19-15-13-18-14-16-19/h18H,2-16H2,1H3.
What are the key properties of 1-tridec-1-en-2-ylpiperazine?
1-tridec-1-en-2-ylpiperazine has a molecular weight of 266.47 g/mol, XLogP of 4.33, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tridec-1-en-2-ylpiperazine is sourced from PubChem (CID 142217059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).