hexyl piperazine-1-carboxylate

C11H22N2O2 — CID 45140358

IUPAChexyl piperazine-1-carboxylate
SMILESCCCCCCOC(=O)N1CCNCC1
InChIInChI=1S/C11H22N2O2/c1-2-3-4-5-10-15-11(14)13-8-6-12-7-9-13/h12H,2-10H2,1H3
InChIKeyKYPHLXXXYHYDAI-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.61
Rot. Bonds5

About hexyl piperazine-1-carboxylate

hexyl piperazine-1-carboxylate (PubChem CID 45140358) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is hexyl piperazine-1-carboxylate.

Molecular Properties

Compound Namehexyl piperazine-1-carboxylate
PubChem CID45140358
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namehexyl piperazine-1-carboxylate
SMILESCCCCCCOC(=O)N1CCNCC1
InChIInChI=1S/C11H22N2O2/c1-2-3-4-5-10-15-11(14)13-8-6-12-7-9-13/h12H,2-10H2,1H3
InChIKeyKYPHLXXXYHYDAI-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 hexyl piperazine-1-carboxylate?
The IUPAC name of hexyl piperazine-1-carboxylate (CID 45140358) is hexyl piperazine-1-carboxylate.
What is the SMILES notation for hexyl piperazine-1-carboxylate?
The canonical SMILES for hexyl piperazine-1-carboxylate is CCCCCCOC(=O)N1CCNCC1.
What is the InChIKey of hexyl piperazine-1-carboxylate?
The InChIKey is KYPHLXXXYHYDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-3-4-5-10-15-11(14)13-8-6-12-7-9-13/h12H,2-10H2,1H3.
What are the key properties of hexyl piperazine-1-carboxylate?
hexyl piperazine-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl piperazine-1-carboxylate is sourced from PubChem (CID 45140358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).