3-(3-fluoro-4-methylpiperazin-1-yl)propan-1-ol

C8H17FN2O — CID 144814393

IUPAC3-(3-fluoro-4-methylpiperazin-1-yl)propan-1-ol
SMILESCN1CCN(CCCO)CC1F
InChIInChI=1S/C8H17FN2O/c1-10-4-5-11(3-2-6-12)7-8(10)9/h8,12H,2-7H2,1H3
InChIKeyXVJUZYATTWTYNY-UHFFFAOYSA-N
MW176.23 g/mol
LogP-0.09
Rot. Bonds3

About 3-(3-fluoro-4-methylpiperazin-1-yl)propan-1-ol

3-(3-fluoro-4-methylpiperazin-1-yl)propan-1-ol (PubChem CID 144814393) has the molecular formula C8H17FN2O and a molecular weight of 176.23 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-fluoro-4-methylpiperazin-1-yl)propan-1-ol
PubChem CID144814393
Molecular FormulaC8H17FN2O
Molecular Weight176.23 g/mol
Exact Mass176.13
IUPAC Name3-(3-fluoro-4-methylpiperazin-1-yl)propan-1-ol
SMILESCN1CCN(CCCO)CC1F
InChIInChI=1S/C8H17FN2O/c1-10-4-5-11(3-2-6-12)7-8(10)9/h8,12H,2-7H2,1H3
InChIKeyXVJUZYATTWTYNY-UHFFFAOYSA-N
XLogP-0.09
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylpiperazin-1-yl)propan-1-ol?
The IUPAC name of 3-(3-fluoro-4-methylpiperazin-1-yl)propan-1-ol (CID 144814393) is 3-(3-fluoro-4-methylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for 3-(3-fluoro-4-methylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for 3-(3-fluoro-4-methylpiperazin-1-yl)propan-1-ol is CN1CCN(CCCO)CC1F.
What is the InChIKey of 3-(3-fluoro-4-methylpiperazin-1-yl)propan-1-ol?
The InChIKey is XVJUZYATTWTYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2O/c1-10-4-5-11(3-2-6-12)7-8(10)9/h8,12H,2-7H2,1H3.
What are the key properties of 3-(3-fluoro-4-methylpiperazin-1-yl)propan-1-ol?
3-(3-fluoro-4-methylpiperazin-1-yl)propan-1-ol has a molecular weight of 176.23 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 144814393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).