1-dodecylpiperazine

C16H34N2 — CID 4284268

IUPAC1-dodecylpiperazine
SMILESCCCCCCCCCCCCN1CCNCC1
InChIInChI=1S/C16H34N2/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-12-17-13-16-18/h17H,2-16H2,1H3
InChIKeyIVMJRWXDWPCKHS-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.81
Rot. Bonds11

About 1-dodecylpiperazine

1-dodecylpiperazine (PubChem CID 4284268) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-dodecylpiperazine.

Molecular Properties

Compound Name1-dodecylpiperazine
PubChem CID4284268
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-dodecylpiperazine
SMILESCCCCCCCCCCCCN1CCNCC1
InChIInChI=1S/C16H34N2/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-12-17-13-16-18/h17H,2-16H2,1H3
InChIKeyIVMJRWXDWPCKHS-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.81
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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Related Compounds

1,2-Ethanediamine, N-(2-aminoethyl)-N'-dodecyl-
CID 77291
N-(2-piperazin-1-ylethyl)cyclododecanamine
CID 921367
1-Decylpiperazine
CID 230544
1-Nonylpiperazine
CID 2737098
1-Octylpiperazine
CID 2737099
1-Pentylpiperazine
CID 2737112
N-dodecylethylenediamine
CID 10561362
Piperidine, 2-methyl-6-undecyl-
CID 99090
N'-tetradecylethane-1,2-diamine
CID 263205
(2-Aminoethyl)(decyl)amine
CID 12659617
1-Hexylpiperazine
CID 2736513
Xinjunan
CID 93665

Frequently Asked Questions

What is the IUPAC name of 1-dodecylpiperazine?
The IUPAC name of 1-dodecylpiperazine (CID 4284268) is 1-dodecylpiperazine.
What is the SMILES notation for 1-dodecylpiperazine?
The canonical SMILES for 1-dodecylpiperazine is CCCCCCCCCCCCN1CCNCC1.
What is the InChIKey of 1-dodecylpiperazine?
The InChIKey is IVMJRWXDWPCKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-12-17-13-16-18/h17H,2-16H2,1H3.
What are the key properties of 1-dodecylpiperazine?
1-dodecylpiperazine has a molecular weight of 254.46 g/mol, XLogP of 3.81, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecylpiperazine is sourced from PubChem (CID 4284268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).