1-butoxy-3-piperazin-1-ylpropan-2-ol

C11H24N2O2 — CID 13310875

IUPAC1-butoxy-3-piperazin-1-ylpropan-2-ol
SMILESCCCCOCC(O)CN1CCNCC1
InChIInChI=1S/C11H24N2O2/c1-2-3-8-15-10-11(14)9-13-6-4-12-5-7-13/h11-12,14H,2-10H2,1H3
InChIKeyUCWYNLLXVJPSGI-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.07
Rot. Bonds7

About 1-butoxy-3-piperazin-1-ylpropan-2-ol

1-butoxy-3-piperazin-1-ylpropan-2-ol (PubChem CID 13310875) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-butoxy-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-piperazin-1-ylpropan-2-ol
PubChem CID13310875
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name1-butoxy-3-piperazin-1-ylpropan-2-ol
SMILESCCCCOCC(O)CN1CCNCC1
InChIInChI=1S/C11H24N2O2/c1-2-3-8-15-10-11(14)9-13-6-4-12-5-7-13/h11-12,14H,2-10H2,1H3
InChIKeyUCWYNLLXVJPSGI-UHFFFAOYSA-N
XLogP0.07
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.07
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-butoxy-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-butoxy-3-piperazin-1-ylpropan-2-ol (CID 13310875) is 1-butoxy-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-butoxy-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-butoxy-3-piperazin-1-ylpropan-2-ol is CCCCOCC(O)CN1CCNCC1.
What is the InChIKey of 1-butoxy-3-piperazin-1-ylpropan-2-ol?
The InChIKey is UCWYNLLXVJPSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-2-3-8-15-10-11(14)9-13-6-4-12-5-7-13/h11-12,14H,2-10H2,1H3.
What are the key properties of 1-butoxy-3-piperazin-1-ylpropan-2-ol?
1-butoxy-3-piperazin-1-ylpropan-2-ol has a molecular weight of 216.32 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 13310875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).