3-piperazin-1-yltridecan-2-ol

C17H36N2O — CID 67639891

IUPAC3-piperazin-1-yltridecan-2-ol
SMILESCCCCCCCCCCC(C(C)O)N1CCNCC1
InChIInChI=1S/C17H36N2O/c1-3-4-5-6-7-8-9-10-11-17(16(2)20)19-14-12-18-13-15-19/h16-18,20H,3-15H2,1-2H3
InChIKeyVKDBDKUCFGRRTM-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.17
Rot. Bonds11

About 3-piperazin-1-yltridecan-2-ol

3-piperazin-1-yltridecan-2-ol (PubChem CID 67639891) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 3-piperazin-1-yltridecan-2-ol.

Molecular Properties

Compound Name3-piperazin-1-yltridecan-2-ol
PubChem CID67639891
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name3-piperazin-1-yltridecan-2-ol
SMILESCCCCCCCCCCC(C(C)O)N1CCNCC1
InChIInChI=1S/C17H36N2O/c1-3-4-5-6-7-8-9-10-11-17(16(2)20)19-14-12-18-13-15-19/h16-18,20H,3-15H2,1-2H3
InChIKeyVKDBDKUCFGRRTM-UHFFFAOYSA-N
XLogP3.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.17
H-Bond Donors ≤ 52
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 3-piperazin-1-yltridecan-2-ol?
The IUPAC name of 3-piperazin-1-yltridecan-2-ol (CID 67639891) is 3-piperazin-1-yltridecan-2-ol.
What is the SMILES notation for 3-piperazin-1-yltridecan-2-ol?
The canonical SMILES for 3-piperazin-1-yltridecan-2-ol is CCCCCCCCCCC(C(C)O)N1CCNCC1.
What is the InChIKey of 3-piperazin-1-yltridecan-2-ol?
The InChIKey is VKDBDKUCFGRRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-3-4-5-6-7-8-9-10-11-17(16(2)20)19-14-12-18-13-15-19/h16-18,20H,3-15H2,1-2H3.
What are the key properties of 3-piperazin-1-yltridecan-2-ol?
3-piperazin-1-yltridecan-2-ol has a molecular weight of 284.49 g/mol, XLogP of 3.17, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yltridecan-2-ol is sourced from PubChem (CID 67639891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).