3-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-1-ol

C12H18FN3O — CID 123634835

IUPAC3-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-1-ol
SMILESOCCCc1cnc(N2CCNCC2)c(F)c1
InChIInChI=1S/C12H18FN3O/c13-11-8-10(2-1-7-17)9-15-12(11)16-5-3-14-4-6-16/h8-9,14,17H,1-7H2
InChIKeyBBVURJIDXNFFOH-UHFFFAOYSA-N
MW239.29 g/mol
LogP0.56
Rot. Bonds4

About 3-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-1-ol

3-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-1-ol (PubChem CID 123634835) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-1-ol
PubChem CID123634835
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name3-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-1-ol
SMILESOCCCc1cnc(N2CCNCC2)c(F)c1
InChIInChI=1S/C12H18FN3O/c13-11-8-10(2-1-7-17)9-15-12(11)16-5-3-14-4-6-16/h8-9,14,17H,1-7H2
InChIKeyBBVURJIDXNFFOH-UHFFFAOYSA-N
XLogP0.56
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-1-ol?
The IUPAC name of 3-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-1-ol (CID 123634835) is 3-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-1-ol?
The canonical SMILES for 3-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-1-ol is OCCCc1cnc(N2CCNCC2)c(F)c1.
What is the InChIKey of 3-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-1-ol?
The InChIKey is BBVURJIDXNFFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c13-11-8-10(2-1-7-17)9-15-12(11)16-5-3-14-4-6-16/h8-9,14,17H,1-7H2.
What are the key properties of 3-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-1-ol?
3-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-1-ol has a molecular weight of 239.29 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 123634835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).