1-piperazin-1-yl-3-propylundecan-1-ol

C18H38N2O — CID 146264981

IUPAC1-piperazin-1-yl-3-propylundecan-1-ol
SMILESCCCCCCCCC(CCC)CC(O)N1CCNCC1
InChIInChI=1S/C18H38N2O/c1-3-5-6-7-8-9-11-17(10-4-2)16-18(21)20-14-12-19-13-15-20/h17-19,21H,3-16H2,1-2H3
InChIKeyWJGYQULERXYQPZ-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.77
Rot. Bonds12

About 1-piperazin-1-yl-3-propylundecan-1-ol

1-piperazin-1-yl-3-propylundecan-1-ol (PubChem CID 146264981) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-propylundecan-1-ol.

Molecular Properties

Compound Name1-piperazin-1-yl-3-propylundecan-1-ol
PubChem CID146264981
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name1-piperazin-1-yl-3-propylundecan-1-ol
SMILESCCCCCCCCC(CCC)CC(O)N1CCNCC1
InChIInChI=1S/C18H38N2O/c1-3-5-6-7-8-9-11-17(10-4-2)16-18(21)20-14-12-19-13-15-20/h17-19,21H,3-16H2,1-2H3
InChIKeyWJGYQULERXYQPZ-UHFFFAOYSA-N
XLogP3.77
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.77
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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Related Compounds

7,9-dipropylhexadecane
CID 91047634
8-heptyl-10-propyloctadecane
CID 90802423
8-pentyl-6,10-dipropylpentadecane
CID 58892246
9-hexyl-7-propylheptadecane
CID 91243882
1-heptan-2-ylpiperazine
CID 61464712
9-butyl-7-propylheptadecane
CID 91567761
7-butyl-9-propylhexadecane
CID 91502397
1-octan-2-yl-1,4-diazepane
CID 61057071
1-piperazin-1-ylheptan-2-ol
CID 70501156
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579
6-propyltetracosane
CID 91039357

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-propylundecan-1-ol?
The IUPAC name of 1-piperazin-1-yl-3-propylundecan-1-ol (CID 146264981) is 1-piperazin-1-yl-3-propylundecan-1-ol.
What is the SMILES notation for 1-piperazin-1-yl-3-propylundecan-1-ol?
The canonical SMILES for 1-piperazin-1-yl-3-propylundecan-1-ol is CCCCCCCCC(CCC)CC(O)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-3-propylundecan-1-ol?
The InChIKey is WJGYQULERXYQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-3-5-6-7-8-9-11-17(10-4-2)16-18(21)20-14-12-19-13-15-20/h17-19,21H,3-16H2,1-2H3.
What are the key properties of 1-piperazin-1-yl-3-propylundecan-1-ol?
1-piperazin-1-yl-3-propylundecan-1-ol has a molecular weight of 298.51 g/mol, XLogP of 3.77, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-3-propylundecan-1-ol is sourced from PubChem (CID 146264981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).