hexyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetate

C14H28N2O3 — CID 145404502

IUPAChexyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetate
SMILESCCCCCCOC(=O)CN1CCN(CCO)CC1
InChIInChI=1S/C14H28N2O3/c1-2-3-4-5-12-19-14(18)13-16-8-6-15(7-9-16)10-11-17/h17H,2-13H2,1H3
InChIKeyJRJHIXGZMSEDOL-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.72
Rot. Bonds9

About hexyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetate

hexyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetate (PubChem CID 145404502) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is hexyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namehexyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetate
PubChem CID145404502
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Namehexyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetate
SMILESCCCCCCOC(=O)CN1CCN(CCO)CC1
InChIInChI=1S/C14H28N2O3/c1-2-3-4-5-12-19-14(18)13-16-8-6-15(7-9-16)10-11-17/h17H,2-13H2,1H3
InChIKeyJRJHIXGZMSEDOL-UHFFFAOYSA-N
XLogP0.72
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetate?
The IUPAC name of hexyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetate (CID 145404502) is hexyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetate.
What is the SMILES notation for hexyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetate?
The canonical SMILES for hexyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetate is CCCCCCOC(=O)CN1CCN(CCO)CC1.
What is the InChIKey of hexyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetate?
The InChIKey is JRJHIXGZMSEDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-2-3-4-5-12-19-14(18)13-16-8-6-15(7-9-16)10-11-17/h17H,2-13H2,1H3.
What are the key properties of hexyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetate?
hexyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetate has a molecular weight of 272.39 g/mol, XLogP of 0.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetate is sourced from PubChem (CID 145404502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).