11-bromoundecan-1-ol;piperazine;11-piperazin-1-ylundecan-1-ol

C30H65BrN4O2 — CID 158260449

IUPAC11-bromoundecan-1-ol;piperazine;11-piperazin-1-ylundecan-1-ol
SMILESC1CNCCN1.OCCCCCCCCCCCBr.OCCCCCCCCCCCN1CCNCC1
InChIInChI=1S/C15H32N2O.C11H23BrO.C4H10N2/c18-15-9-7-5-3-1-2-4-6-8-12-17-13-10-16-11-14-17;12-10-8-6-4-2-1-3-5-7-9-11-13;1-2-6-4-3-5-1/h16,18H,1-15H2;13H,1-11H2;5-6H,1-4H2
InChIKeyGHUSOHLRWSELID-UHFFFAOYSA-N
MW593.78 g/mol
LogP5.46
Rot. Bonds21

About 11-bromoundecan-1-ol;piperazine;11-piperazin-1-ylundecan-1-ol

11-bromoundecan-1-ol;piperazine;11-piperazin-1-ylundecan-1-ol (PubChem CID 158260449) has the molecular formula C30H65BrN4O2 and a molecular weight of 593.78 g/mol. Its IUPAC name is 11-bromoundecan-1-ol;piperazine;11-piperazin-1-ylundecan-1-ol.

Molecular Properties

Compound Name11-bromoundecan-1-ol;piperazine;11-piperazin-1-ylundecan-1-ol
PubChem CID158260449
Molecular FormulaC30H65BrN4O2
Molecular Weight593.78 g/mol
Exact Mass592.43
IUPAC Name11-bromoundecan-1-ol;piperazine;11-piperazin-1-ylundecan-1-ol
SMILESC1CNCCN1.OCCCCCCCCCCCBr.OCCCCCCCCCCCN1CCNCC1
InChIInChI=1S/C15H32N2O.C11H23BrO.C4H10N2/c18-15-9-7-5-3-1-2-4-6-8-12-17-13-10-16-11-14-17;12-10-8-6-4-2-1-3-5-7-9-11-13;1-2-6-4-3-5-1/h16,18H,1-15H2;13H,1-11H2;5-6H,1-4H2
InChIKeyGHUSOHLRWSELID-UHFFFAOYSA-N
XLogP5.46
TPSA79.79 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.78
LogP ≤ 55.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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1-tricosylpiperazine
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CID 54010280
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CID 101161993

Frequently Asked Questions

What is the IUPAC name of 11-bromoundecan-1-ol;piperazine;11-piperazin-1-ylundecan-1-ol?
The IUPAC name of 11-bromoundecan-1-ol;piperazine;11-piperazin-1-ylundecan-1-ol (CID 158260449) is 11-bromoundecan-1-ol;piperazine;11-piperazin-1-ylundecan-1-ol.
What is the SMILES notation for 11-bromoundecan-1-ol;piperazine;11-piperazin-1-ylundecan-1-ol?
The canonical SMILES for 11-bromoundecan-1-ol;piperazine;11-piperazin-1-ylundecan-1-ol is C1CNCCN1.OCCCCCCCCCCCBr.OCCCCCCCCCCCN1CCNCC1.
What is the InChIKey of 11-bromoundecan-1-ol;piperazine;11-piperazin-1-ylundecan-1-ol?
The InChIKey is GHUSOHLRWSELID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O.C11H23BrO.C4H10N2/c18-15-9-7-5-3-1-2-4-6-8-12-17-13-10-16-11-14-17;12-10-8-6-4-2-1-3-5-7-9-11-13;1-2-6-4-3-5-1/h16,18H,1-15H2;13H,1-11H2;5-6H,1-4H2.
What are the key properties of 11-bromoundecan-1-ol;piperazine;11-piperazin-1-ylundecan-1-ol?
11-bromoundecan-1-ol;piperazine;11-piperazin-1-ylundecan-1-ol has a molecular weight of 593.78 g/mol, XLogP of 5.46, 21 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-bromoundecan-1-ol;piperazine;11-piperazin-1-ylundecan-1-ol is sourced from PubChem (CID 158260449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).