1-(6-hydroxy-1-piperazin-1-ylhexyl)imidazolidin-2-one

C13H26N4O2 — CID 67727553

IUPAC1-(6-hydroxy-1-piperazin-1-ylhexyl)imidazolidin-2-one
SMILESO=C1NCCN1C(CCCCCO)N1CCNCC1
InChIInChI=1S/C13H26N4O2/c18-11-3-1-2-4-12(16-8-5-14-6-9-16)17-10-7-15-13(17)19/h12,14,18H,1-11H2,(H,15,19)
InChIKeyVLQUZNAAIKRSAK-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.20
Rot. Bonds7

About 1-(6-hydroxy-1-piperazin-1-ylhexyl)imidazolidin-2-one

1-(6-hydroxy-1-piperazin-1-ylhexyl)imidazolidin-2-one (PubChem CID 67727553) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(6-hydroxy-1-piperazin-1-ylhexyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(6-hydroxy-1-piperazin-1-ylhexyl)imidazolidin-2-one
PubChem CID67727553
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name1-(6-hydroxy-1-piperazin-1-ylhexyl)imidazolidin-2-one
SMILESO=C1NCCN1C(CCCCCO)N1CCNCC1
InChIInChI=1S/C13H26N4O2/c18-11-3-1-2-4-12(16-8-5-14-6-9-16)17-10-7-15-13(17)19/h12,14,18H,1-11H2,(H,15,19)
InChIKeyVLQUZNAAIKRSAK-UHFFFAOYSA-N
XLogP-0.20
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
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-(6-hydroxy-1-piperazin-1-ylhexyl)imidazolidin-2-one?
The IUPAC name of 1-(6-hydroxy-1-piperazin-1-ylhexyl)imidazolidin-2-one (CID 67727553) is 1-(6-hydroxy-1-piperazin-1-ylhexyl)imidazolidin-2-one.
What is the SMILES notation for 1-(6-hydroxy-1-piperazin-1-ylhexyl)imidazolidin-2-one?
The canonical SMILES for 1-(6-hydroxy-1-piperazin-1-ylhexyl)imidazolidin-2-one is O=C1NCCN1C(CCCCCO)N1CCNCC1.
What is the InChIKey of 1-(6-hydroxy-1-piperazin-1-ylhexyl)imidazolidin-2-one?
The InChIKey is VLQUZNAAIKRSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c18-11-3-1-2-4-12(16-8-5-14-6-9-16)17-10-7-15-13(17)19/h12,14,18H,1-11H2,(H,15,19).
What are the key properties of 1-(6-hydroxy-1-piperazin-1-ylhexyl)imidazolidin-2-one?
1-(6-hydroxy-1-piperazin-1-ylhexyl)imidazolidin-2-one has a molecular weight of 270.38 g/mol, XLogP of -0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxy-1-piperazin-1-ylhexyl)imidazolidin-2-one is sourced from PubChem (CID 67727553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).