1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol

C12H15BrFNO — CID 62021902

IUPAC1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2cc(F)ccc2Br)C1
InChIInChI=1S/C12H15BrFNO/c13-12-4-3-10(14)6-9(12)7-15-5-1-2-11(16)8-15/h3-4,6,11,16H,1-2,5,7-8H2
InChIKeyOXUNOQUKMNNYLV-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.54
Rot. Bonds2

About 1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol

1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol (PubChem CID 62021902) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol
PubChem CID62021902
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2cc(F)ccc2Br)C1
InChIInChI=1S/C12H15BrFNO/c13-12-4-3-10(14)6-9(12)7-15-5-1-2-11(16)8-15/h3-4,6,11,16H,1-2,5,7-8H2
InChIKeyOXUNOQUKMNNYLV-UHFFFAOYSA-N
XLogP2.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol
CID 63289199
1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910188
1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 114681427
1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpiperidin-3-amine
CID 55086252
1-[(2-bromo-5-fluorophenyl)methyl]piperidine
CID 137320857
1-[(2-bromo-5-fluorophenyl)methyl]azepane
CID 146004203
1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-ol
CID 106268702
1-[(4-amino-2-bromophenyl)methyl]piperidin-3-ol
CID 60791980
(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol
CID 107225646
1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905765
3-[(2-bromo-5-fluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927578
1-[1-[(2-bromo-5-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 55169050

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol (CID 62021902) is 1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol is OC1CCCN(Cc2cc(F)ccc2Br)C1.
What is the InChIKey of 1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol?
The InChIKey is OXUNOQUKMNNYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-12-4-3-10(14)6-9(12)7-15-5-1-2-11(16)8-15/h3-4,6,11,16H,1-2,5,7-8H2.
What are the key properties of 1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol?
1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol has a molecular weight of 288.16 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 62021902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).