1-[4-(2-hydroxyheptyl)piperazin-1-yl]heptan-2-ol

C18H38N2O2 — CID 71463390

IUPAC1-[4-(2-hydroxyheptyl)piperazin-1-yl]heptan-2-ol
SMILESCCCCCC(O)CN1CCN(CC(O)CCCCC)CC1
InChIInChI=1S/C18H38N2O2/c1-3-5-7-9-17(21)15-19-11-13-20(14-12-19)16-18(22)10-8-6-4-2/h17-18,21-22H,3-16H2,1-2H3
InChIKeyJUYYPTTYXLFBNI-UHFFFAOYSA-N
MW314.51 g/mol
LogP2.49
Rot. Bonds12

About 1-[4-(2-hydroxyheptyl)piperazin-1-yl]heptan-2-ol

1-[4-(2-hydroxyheptyl)piperazin-1-yl]heptan-2-ol (PubChem CID 71463390) has the molecular formula C18H38N2O2 and a molecular weight of 314.51 g/mol. Its IUPAC name is 1-[4-(2-hydroxyheptyl)piperazin-1-yl]heptan-2-ol.

Molecular Properties

Compound Name1-[4-(2-hydroxyheptyl)piperazin-1-yl]heptan-2-ol
PubChem CID71463390
Molecular FormulaC18H38N2O2
Molecular Weight314.51 g/mol
Exact Mass314.29
IUPAC Name1-[4-(2-hydroxyheptyl)piperazin-1-yl]heptan-2-ol
SMILESCCCCCC(O)CN1CCN(CC(O)CCCCC)CC1
InChIInChI=1S/C18H38N2O2/c1-3-5-7-9-17(21)15-19-11-13-20(14-12-19)16-18(22)10-8-6-4-2/h17-18,21-22H,3-16H2,1-2H3
InChIKeyJUYYPTTYXLFBNI-UHFFFAOYSA-N
XLogP2.49
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-[4-(2-hydroxyheptyl)piperazin-1-yl]heptan-2-ol?
The IUPAC name of 1-[4-(2-hydroxyheptyl)piperazin-1-yl]heptan-2-ol (CID 71463390) is 1-[4-(2-hydroxyheptyl)piperazin-1-yl]heptan-2-ol.
What is the SMILES notation for 1-[4-(2-hydroxyheptyl)piperazin-1-yl]heptan-2-ol?
The canonical SMILES for 1-[4-(2-hydroxyheptyl)piperazin-1-yl]heptan-2-ol is CCCCCC(O)CN1CCN(CC(O)CCCCC)CC1.
What is the InChIKey of 1-[4-(2-hydroxyheptyl)piperazin-1-yl]heptan-2-ol?
The InChIKey is JUYYPTTYXLFBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O2/c1-3-5-7-9-17(21)15-19-11-13-20(14-12-19)16-18(22)10-8-6-4-2/h17-18,21-22H,3-16H2,1-2H3.
What are the key properties of 1-[4-(2-hydroxyheptyl)piperazin-1-yl]heptan-2-ol?
1-[4-(2-hydroxyheptyl)piperazin-1-yl]heptan-2-ol has a molecular weight of 314.51 g/mol, XLogP of 2.49, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyheptyl)piperazin-1-yl]heptan-2-ol is sourced from PubChem (CID 71463390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).