4-(4-bromo-2,5-difluorophenyl)-1-methylpiperidin-4-ol

C12H14BrF2NO — CID 14770831

IUPAC4-(4-bromo-2,5-difluorophenyl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2cc(F)c(Br)cc2F)CC1
InChIInChI=1S/C12H14BrF2NO/c1-16-4-2-12(17,3-5-16)8-6-11(15)9(13)7-10(8)14/h6-7,17H,2-5H2,1H3
InChIKeyQEZZRXLUXXGIBT-UHFFFAOYSA-N
MW306.15 g/mol
LogP2.64
Rot. Bonds1

About 4-(4-bromo-2,5-difluorophenyl)-1-methylpiperidin-4-ol

4-(4-bromo-2,5-difluorophenyl)-1-methylpiperidin-4-ol (PubChem CID 14770831) has the molecular formula C12H14BrF2NO and a molecular weight of 306.15 g/mol. Its IUPAC name is 4-(4-bromo-2,5-difluorophenyl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-bromo-2,5-difluorophenyl)-1-methylpiperidin-4-ol
PubChem CID14770831
Molecular FormulaC12H14BrF2NO
Molecular Weight306.15 g/mol
Exact Mass305.02
IUPAC Name4-(4-bromo-2,5-difluorophenyl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2cc(F)c(Br)cc2F)CC1
InChIInChI=1S/C12H14BrF2NO/c1-16-4-2-12(17,3-5-16)8-6-11(15)9(13)7-10(8)14/h6-7,17H,2-5H2,1H3
InChIKeyQEZZRXLUXXGIBT-UHFFFAOYSA-N
XLogP2.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 52.64
H-Bond Donors ≤ 51
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-(4-bromo-2,5-difluorophenyl)-1-methylpiperidin-4-ol?
The IUPAC name of 4-(4-bromo-2,5-difluorophenyl)-1-methylpiperidin-4-ol (CID 14770831) is 4-(4-bromo-2,5-difluorophenyl)-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-(4-bromo-2,5-difluorophenyl)-1-methylpiperidin-4-ol?
The canonical SMILES for 4-(4-bromo-2,5-difluorophenyl)-1-methylpiperidin-4-ol is CN1CCC(O)(c2cc(F)c(Br)cc2F)CC1.
What is the InChIKey of 4-(4-bromo-2,5-difluorophenyl)-1-methylpiperidin-4-ol?
The InChIKey is QEZZRXLUXXGIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NO/c1-16-4-2-12(17,3-5-16)8-6-11(15)9(13)7-10(8)14/h6-7,17H,2-5H2,1H3.
What are the key properties of 4-(4-bromo-2,5-difluorophenyl)-1-methylpiperidin-4-ol?
4-(4-bromo-2,5-difluorophenyl)-1-methylpiperidin-4-ol has a molecular weight of 306.15 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2,5-difluorophenyl)-1-methylpiperidin-4-ol is sourced from PubChem (CID 14770831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).