1-octylpiperazine

C12H26N2 — CID 2737099

IUPAC1-octylpiperazine
SMILESCCCCCCCCN1CCNCC1
InChIInChI=1S/C12H26N2/c1-2-3-4-5-6-7-10-14-11-8-13-9-12-14/h13H,2-12H2,1H3
InChIKeyRRZDZQLIIMBIDL-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds7

About 1-octylpiperazine

1-octylpiperazine (PubChem CID 2737099) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-octylpiperazine.

Molecular Properties

Compound Name1-octylpiperazine
PubChem CID2737099
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-octylpiperazine
SMILESCCCCCCCCN1CCNCC1
InChIInChI=1S/C12H26N2/c1-2-3-4-5-6-7-10-14-11-8-13-9-12-14/h13H,2-12H2,1H3
InChIKeyRRZDZQLIIMBIDL-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
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

(+)-Coniine
CID 441072
2-Propylpiperidine
CID 9985
1,2-Ethanediamine, N-(2-aminoethyl)-N'-dodecyl-
CID 77291
N-(2-piperazin-1-ylethyl)cyclododecanamine
CID 921367
1-Decylpiperazine
CID 230544
1-Pentylpiperazine
CID 2737112
N-dodecylethylenediamine
CID 10561362
N'-tetradecylethane-1,2-diamine
CID 263205
Piperazine, 1-dodecyl-
CID 4284268
(2R)-2-Propylpiperidine
CID 638021
1-Nonylpiperazine
CID 2737098
(2-Aminoethyl)(decyl)amine
CID 12659617

Frequently Asked Questions

What is the IUPAC name of 1-octylpiperazine?
The IUPAC name of 1-octylpiperazine (CID 2737099) is 1-octylpiperazine.
What is the SMILES notation for 1-octylpiperazine?
The canonical SMILES for 1-octylpiperazine is CCCCCCCCN1CCNCC1.
What is the InChIKey of 1-octylpiperazine?
The InChIKey is RRZDZQLIIMBIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-2-3-4-5-6-7-10-14-11-8-13-9-12-14/h13H,2-12H2,1H3.
What are the key properties of 1-octylpiperazine?
1-octylpiperazine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octylpiperazine is sourced from PubChem (CID 2737099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).