(3R)-1-(2-bromo-5-fluorophenyl)piperidin-3-ol

C11H13BrFNO — CID 170753354

IUPAC(3R)-1-(2-bromo-5-fluorophenyl)piperidin-3-ol
SMILESO[C@@H]1CCCN(c2cc(F)ccc2Br)C1
InChIInChI=1S/C11H13BrFNO/c12-10-4-3-8(13)6-11(10)14-5-1-2-9(15)7-14/h3-4,6,9,15H,1-2,5,7H2/t9-/m1/s1
InChIKeyTVUGKDFBMHWJCR-SECBINFHSA-N
MW274.13 g/mol
LogP2.55
Rot. Bonds1

About (3R)-1-(2-bromo-5-fluorophenyl)piperidin-3-ol

(3R)-1-(2-bromo-5-fluorophenyl)piperidin-3-ol (PubChem CID 170753354) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is (3R)-1-(2-bromo-5-fluorophenyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(2-bromo-5-fluorophenyl)piperidin-3-ol
PubChem CID170753354
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name(3R)-1-(2-bromo-5-fluorophenyl)piperidin-3-ol
SMILESO[C@@H]1CCCN(c2cc(F)ccc2Br)C1
InChIInChI=1S/C11H13BrFNO/c12-10-4-3-8(13)6-11(10)14-5-1-2-9(15)7-14/h3-4,6,9,15H,1-2,5,7H2/t9-/m1/s1
InChIKeyTVUGKDFBMHWJCR-SECBINFHSA-N
XLogP2.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-fluorophenyl)azepane
CID 84713262
1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-3-ol
CID 61434288
1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol
CID 62021902
1-(2-bromo-5-fluorophenyl)-3-cyclohexyl-1,4-diazepane
CID 107640057
1-(4-bromo-3-methylphenyl)piperidin-3-ol
CID 117012803
1-(2-amino-5-bromophenyl)piperidin-3-ol
CID 65343065
1-(2-bromo-5-fluorophenyl)-3-methylazetidine
CID 107641053
ethane;1-(3-fluorophenyl)piperidin-3-ol
CID 171539689
1-(2-bromo-5-fluorophenyl)-3-tert-butyl-1,4-diazepane
CID 107640121
3-bromo-4-(3-hydroxypiperidin-1-yl)benzonitrile
CID 79018528
N-[[1-(2-bromo-5-fluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 107636418
(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-ol
CID 58565962

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-bromo-5-fluorophenyl)piperidin-3-ol?
The IUPAC name of (3R)-1-(2-bromo-5-fluorophenyl)piperidin-3-ol (CID 170753354) is (3R)-1-(2-bromo-5-fluorophenyl)piperidin-3-ol.
What is the SMILES notation for (3R)-1-(2-bromo-5-fluorophenyl)piperidin-3-ol?
The canonical SMILES for (3R)-1-(2-bromo-5-fluorophenyl)piperidin-3-ol is O[C@@H]1CCCN(c2cc(F)ccc2Br)C1.
What is the InChIKey of (3R)-1-(2-bromo-5-fluorophenyl)piperidin-3-ol?
The InChIKey is TVUGKDFBMHWJCR-SECBINFHSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-10-4-3-8(13)6-11(10)14-5-1-2-9(15)7-14/h3-4,6,9,15H,1-2,5,7H2/t9-/m1/s1.
What are the key properties of (3R)-1-(2-bromo-5-fluorophenyl)piperidin-3-ol?
(3R)-1-(2-bromo-5-fluorophenyl)piperidin-3-ol has a molecular weight of 274.13 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-bromo-5-fluorophenyl)piperidin-3-ol is sourced from PubChem (CID 170753354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).