1-bromo-3-(3-fluoropiperidin-1-yl)propan-2-ol

C8H15BrFNO — CID 164659374

IUPAC1-bromo-3-(3-fluoropiperidin-1-yl)propan-2-ol
SMILESOC(CBr)CN1CCCC(F)C1
InChIInChI=1S/C8H15BrFNO/c9-4-8(12)6-11-3-1-2-7(10)5-11/h7-8,12H,1-6H2
InChIKeyWEWAUAJFEUBNOQ-UHFFFAOYSA-N
MW240.12 g/mol
LogP1.18
Rot. Bonds3

About 1-bromo-3-(3-fluoropiperidin-1-yl)propan-2-ol

1-bromo-3-(3-fluoropiperidin-1-yl)propan-2-ol (PubChem CID 164659374) has the molecular formula C8H15BrFNO and a molecular weight of 240.12 g/mol. Its IUPAC name is 1-bromo-3-(3-fluoropiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-bromo-3-(3-fluoropiperidin-1-yl)propan-2-ol
PubChem CID164659374
Molecular FormulaC8H15BrFNO
Molecular Weight240.12 g/mol
Exact Mass239.03
IUPAC Name1-bromo-3-(3-fluoropiperidin-1-yl)propan-2-ol
SMILESOC(CBr)CN1CCCC(F)C1
InChIInChI=1S/C8H15BrFNO/c9-4-8(12)6-11-3-1-2-7(10)5-11/h7-8,12H,1-6H2
InChIKeyWEWAUAJFEUBNOQ-UHFFFAOYSA-N
XLogP1.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.12
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3-fluoropiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-bromo-3-(3-fluoropiperidin-1-yl)propan-2-ol (CID 164659374) is 1-bromo-3-(3-fluoropiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-bromo-3-(3-fluoropiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-bromo-3-(3-fluoropiperidin-1-yl)propan-2-ol is OC(CBr)CN1CCCC(F)C1.
What is the InChIKey of 1-bromo-3-(3-fluoropiperidin-1-yl)propan-2-ol?
The InChIKey is WEWAUAJFEUBNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrFNO/c9-4-8(12)6-11-3-1-2-7(10)5-11/h7-8,12H,1-6H2.
What are the key properties of 1-bromo-3-(3-fluoropiperidin-1-yl)propan-2-ol?
1-bromo-3-(3-fluoropiperidin-1-yl)propan-2-ol has a molecular weight of 240.12 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3-fluoropiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 164659374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).