2-bromo-3-fluoro-6-[(2S)-piperidin-2-yl]phenol

C11H13BrFNO — CID 131479166

IUPAC2-bromo-3-fluoro-6-[(2S)-piperidin-2-yl]phenol
SMILESOc1c([C@@H]2CCCCN2)ccc(F)c1Br
InChIInChI=1S/C11H13BrFNO/c12-10-8(13)5-4-7(11(10)15)9-3-1-2-6-14-9/h4-5,9,14-15H,1-3,6H2/t9-/m0/s1
InChIKeyVNGMTPUULKHNMM-VIFPVBQESA-N
MW274.13 g/mol
LogP3.11
Rot. Bonds1

About 2-bromo-3-fluoro-6-[(2S)-piperidin-2-yl]phenol

2-bromo-3-fluoro-6-[(2S)-piperidin-2-yl]phenol (PubChem CID 131479166) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 2-bromo-3-fluoro-6-[(2S)-piperidin-2-yl]phenol.

Molecular Properties

Compound Name2-bromo-3-fluoro-6-[(2S)-piperidin-2-yl]phenol
PubChem CID131479166
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name2-bromo-3-fluoro-6-[(2S)-piperidin-2-yl]phenol
SMILESOc1c([C@@H]2CCCCN2)ccc(F)c1Br
InChIInChI=1S/C11H13BrFNO/c12-10-8(13)5-4-7(11(10)15)9-3-1-2-6-14-9/h4-5,9,14-15H,1-3,6H2/t9-/m0/s1
InChIKeyVNGMTPUULKHNMM-VIFPVBQESA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-Bromo-2-((ethylamino)methyl)phenol
CID 22622505
2-[(Benzylamino)methyl]-4-bromophenol
CID 973053
4-Bromo-2-fluoro-6-[(methylamino)methyl]phenol
CID 83895869
2-Bromo-4-Tert-Butyl-6-{[(3-Phenylpropyl)amino]methyl}phenol
CID 91754970
2,4-Dibromo-6-[(methylamino)methyl]phenol
CID 257448
2-Bromo-4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenol
CID 69099540
2-Bromo-4-(piperidin-4-yl)phenol
CID 82623389
4-Fluoro-2-[(piperidin-4-ylamino)methyl]phenol
CID 118140415
3-Bromo-2-((ethylamino)methyl)-4-fluorophenol
CID 137455332
2-[[[3,5-Bis(trifluoromethyl)phenyl]methylamino]methyl]-6-bromo-4-(trifluoromethyl)phenol
CID 141180560
2,4-Dibromo-6-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]phenol
CID 152134913
4-Bromo-2-[2-fluoro-4-[2,2,2-trifluoro-1-[(4-fluoro-4-methylpentan-2-yl)amino]ethyl]phenyl]phenol
CID 166677161

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-6-[(2S)-piperidin-2-yl]phenol?
The IUPAC name of 2-bromo-3-fluoro-6-[(2S)-piperidin-2-yl]phenol (CID 131479166) is 2-bromo-3-fluoro-6-[(2S)-piperidin-2-yl]phenol.
What is the SMILES notation for 2-bromo-3-fluoro-6-[(2S)-piperidin-2-yl]phenol?
The canonical SMILES for 2-bromo-3-fluoro-6-[(2S)-piperidin-2-yl]phenol is Oc1c([C@@H]2CCCCN2)ccc(F)c1Br.
What is the InChIKey of 2-bromo-3-fluoro-6-[(2S)-piperidin-2-yl]phenol?
The InChIKey is VNGMTPUULKHNMM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-10-8(13)5-4-7(11(10)15)9-3-1-2-6-14-9/h4-5,9,14-15H,1-3,6H2/t9-/m0/s1.
What are the key properties of 2-bromo-3-fluoro-6-[(2S)-piperidin-2-yl]phenol?
2-bromo-3-fluoro-6-[(2S)-piperidin-2-yl]phenol has a molecular weight of 274.13 g/mol, XLogP of 3.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-6-[(2S)-piperidin-2-yl]phenol is sourced from PubChem (CID 131479166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).