(4-bromo-2,5-difluorophenyl)-piperidin-2-ylmethanol

C12H14BrF2NO — CID 64866828

IUPAC(4-bromo-2,5-difluorophenyl)-piperidin-2-ylmethanol
SMILESOC(c1cc(F)c(Br)cc1F)C1CCCCN1
InChIInChI=1S/C12H14BrF2NO/c13-8-6-9(14)7(5-10(8)15)12(17)11-3-1-2-4-16-11/h5-6,11-12,16-17H,1-4H2
InChIKeySINXFVMZESLNBU-UHFFFAOYSA-N
MW306.15 g/mol
LogP2.90
Rot. Bonds2

About (4-bromo-2,5-difluorophenyl)-piperidin-2-ylmethanol

(4-bromo-2,5-difluorophenyl)-piperidin-2-ylmethanol (PubChem CID 64866828) has the molecular formula C12H14BrF2NO and a molecular weight of 306.15 g/mol. Its IUPAC name is (4-bromo-2,5-difluorophenyl)-piperidin-2-ylmethanol.

Molecular Properties

Compound Name(4-bromo-2,5-difluorophenyl)-piperidin-2-ylmethanol
PubChem CID64866828
Molecular FormulaC12H14BrF2NO
Molecular Weight306.15 g/mol
Exact Mass305.02
IUPAC Name(4-bromo-2,5-difluorophenyl)-piperidin-2-ylmethanol
SMILESOC(c1cc(F)c(Br)cc1F)C1CCCCN1
InChIInChI=1S/C12H14BrF2NO/c13-8-6-9(14)7(5-10(8)15)12(17)11-3-1-2-4-16-11/h5-6,11-12,16-17H,1-4H2
InChIKeySINXFVMZESLNBU-UHFFFAOYSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-difluorophenyl)-piperidin-2-ylmethanol?
The IUPAC name of (4-bromo-2,5-difluorophenyl)-piperidin-2-ylmethanol (CID 64866828) is (4-bromo-2,5-difluorophenyl)-piperidin-2-ylmethanol.
What is the SMILES notation for (4-bromo-2,5-difluorophenyl)-piperidin-2-ylmethanol?
The canonical SMILES for (4-bromo-2,5-difluorophenyl)-piperidin-2-ylmethanol is OC(c1cc(F)c(Br)cc1F)C1CCCCN1.
What is the InChIKey of (4-bromo-2,5-difluorophenyl)-piperidin-2-ylmethanol?
The InChIKey is SINXFVMZESLNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NO/c13-8-6-9(14)7(5-10(8)15)12(17)11-3-1-2-4-16-11/h5-6,11-12,16-17H,1-4H2.
What are the key properties of (4-bromo-2,5-difluorophenyl)-piperidin-2-ylmethanol?
(4-bromo-2,5-difluorophenyl)-piperidin-2-ylmethanol has a molecular weight of 306.15 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-difluorophenyl)-piperidin-2-ylmethanol is sourced from PubChem (CID 64866828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).