3-[(2-bromo-4-fluorophenyl)methyl]piperidin-3-ol

C12H15BrFNO — CID 65145893

IUPAC3-[(2-bromo-4-fluorophenyl)methyl]piperidin-3-ol
SMILESOC1(Cc2ccc(F)cc2Br)CCCNC1
InChIInChI=1S/C12H15BrFNO/c13-11-6-10(14)3-2-9(11)7-12(16)4-1-5-15-8-12/h2-3,6,15-16H,1,4-5,7-8H2
InChIKeyMHHNZUDYAKWVNH-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.25
Rot. Bonds2

About 3-[(2-bromo-4-fluorophenyl)methyl]piperidin-3-ol

3-[(2-bromo-4-fluorophenyl)methyl]piperidin-3-ol (PubChem CID 65145893) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 3-[(2-bromo-4-fluorophenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[(2-bromo-4-fluorophenyl)methyl]piperidin-3-ol
PubChem CID65145893
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name3-[(2-bromo-4-fluorophenyl)methyl]piperidin-3-ol
SMILESOC1(Cc2ccc(F)cc2Br)CCCNC1
InChIInChI=1S/C12H15BrFNO/c13-11-6-10(14)3-2-9(11)7-12(16)4-1-5-15-8-12/h2-3,6,15-16H,1,4-5,7-8H2
InChIKeyMHHNZUDYAKWVNH-UHFFFAOYSA-N
XLogP2.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-bromo-4-fluorophenyl)methyl]-1-methylazepan-4-ol
CID 65153879
1-[(2-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-ol
CID 65151801
2-bromo-1-[[1-(chloromethyl)cyclohexyl]methyl]-4-fluorobenzene
CID 66033772
3-[(4-fluoroanilino)methyl]piperidin-3-ol
CID 105482018
3-[(2-bromo-4-fluorophenyl)methyl]-3-cyclopentylazetidine
CID 112571305
2-[(2-bromo-4-fluorophenyl)methyl]-2-cyclopropylazepane
CID 79117461
4-[(2-bromo-4-fluorophenyl)methyl]-2-methyloxan-4-ol
CID 65149577
1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol
CID 117364001
[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 56753257
1-[(2-bromo-4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82856124
3-[(2-bromo-4-fluorophenyl)methyl]-3-(4-bromophenyl)azetidine
CID 79460518
[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol;hydrochloride
CID 154892250

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-fluorophenyl)methyl]piperidin-3-ol?
The IUPAC name of 3-[(2-bromo-4-fluorophenyl)methyl]piperidin-3-ol (CID 65145893) is 3-[(2-bromo-4-fluorophenyl)methyl]piperidin-3-ol.
What is the SMILES notation for 3-[(2-bromo-4-fluorophenyl)methyl]piperidin-3-ol?
The canonical SMILES for 3-[(2-bromo-4-fluorophenyl)methyl]piperidin-3-ol is OC1(Cc2ccc(F)cc2Br)CCCNC1.
What is the InChIKey of 3-[(2-bromo-4-fluorophenyl)methyl]piperidin-3-ol?
The InChIKey is MHHNZUDYAKWVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-11-6-10(14)3-2-9(11)7-12(16)4-1-5-15-8-12/h2-3,6,15-16H,1,4-5,7-8H2.
What are the key properties of 3-[(2-bromo-4-fluorophenyl)methyl]piperidin-3-ol?
3-[(2-bromo-4-fluorophenyl)methyl]piperidin-3-ol has a molecular weight of 288.16 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-fluorophenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 65145893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).