1-hexylpiperazine

C10H22N2 — CID 2736513

IUPAC1-hexylpiperazine
SMILESCCCCCCN1CCNCC1
InChIInChI=1S/C10H22N2/c1-2-3-4-5-8-12-9-6-11-7-10-12/h11H,2-10H2,1H3
InChIKeyWRFUXAYDZDQDKY-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.47
Rot. Bonds5

About 1-hexylpiperazine

1-hexylpiperazine (PubChem CID 2736513) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-hexylpiperazine.

Molecular Properties

Compound Name1-hexylpiperazine
PubChem CID2736513
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-hexylpiperazine
SMILESCCCCCCN1CCNCC1
InChIInChI=1S/C10H22N2/c1-2-3-4-5-8-12-9-6-11-7-10-12/h11H,2-10H2,1H3
InChIKeyWRFUXAYDZDQDKY-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.47
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-Cyclohexylpiperazine
CID 87298
1-(2-Piperidinylmethyl)piperidine
CID 254290
Methyl(2-(4-methylpiperidin-1-yl)ethyl)amine
CID 43199381
N-(2-Aminoethyl)piperidine
CID 33944
2-(3,5-Dimethylpiperidin-1-yl)ethan-1-amine
CID 6484177
3-amino-N-ethylpiperidine
CID 98094
1-Decylpiperazine
CID 230544
1-Nonylpiperazine
CID 2737098
1-Octylpiperazine
CID 2737099
1-Pentylpiperazine
CID 2737112
4-(Piperidin-1-yl)butan-1-amine
CID 6484144
Piperazine, 1-dodecyl-
CID 4284268

Frequently Asked Questions

What is the IUPAC name of 1-hexylpiperazine?
The IUPAC name of 1-hexylpiperazine (CID 2736513) is 1-hexylpiperazine.
What is the SMILES notation for 1-hexylpiperazine?
The canonical SMILES for 1-hexylpiperazine is CCCCCCN1CCNCC1.
What is the InChIKey of 1-hexylpiperazine?
The InChIKey is WRFUXAYDZDQDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-2-3-4-5-8-12-9-6-11-7-10-12/h11H,2-10H2,1H3.
What are the key properties of 1-hexylpiperazine?
1-hexylpiperazine has a molecular weight of 170.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexylpiperazine is sourced from PubChem (CID 2736513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).