1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidin-4-ol

C13H17BrFNO — CID 114681427

IUPAC1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidin-4-ol
SMILESCC1CN(Cc2cc(F)ccc2Br)CCC1O
InChIInChI=1S/C13H17BrFNO/c1-9-7-16(5-4-13(9)17)8-10-6-11(15)2-3-12(10)14/h2-3,6,9,13,17H,4-5,7-8H2,1H3
InChIKeyMDSNMKKCKRLZTG-UHFFFAOYSA-N
MW302.19 g/mol
LogP2.79
Rot. Bonds2

About 1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidin-4-ol

1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidin-4-ol (PubChem CID 114681427) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidin-4-ol
PubChem CID114681427
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidin-4-ol
SMILESCC1CN(Cc2cc(F)ccc2Br)CCC1O
InChIInChI=1S/C13H17BrFNO/c1-9-7-16(5-4-13(9)17)8-10-6-11(15)2-3-12(10)14/h2-3,6,9,13,17H,4-5,7-8H2,1H3
InChIKeyMDSNMKKCKRLZTG-UHFFFAOYSA-N
XLogP2.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol
CID 62021902
1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905765
1-[(2-bromo-4-fluorophenyl)methyl]-4-methylpiperidin-3-ol
CID 103898107
1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpiperidin-3-amine
CID 55086252
(3S,4S)-1-[(2-bromo-5-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114086279
1-[1-[(2-bromo-5-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 55169050
1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910188
1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylpiperidin-4-ol
CID 114681498
(3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 129393398
3-[(2-bromo-5-fluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927578
1-[(2-bromo-5-fluorophenyl)methyl]azepane
CID 146004203
1-[(2-bromo-5-fluorophenyl)methyl]piperidine
CID 137320857

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidin-4-ol (CID 114681427) is 1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidin-4-ol is CC1CN(Cc2cc(F)ccc2Br)CCC1O.
What is the InChIKey of 1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidin-4-ol?
The InChIKey is MDSNMKKCKRLZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-9-7-16(5-4-13(9)17)8-10-6-11(15)2-3-12(10)14/h2-3,6,9,13,17H,4-5,7-8H2,1H3.
What are the key properties of 1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidin-4-ol?
1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidin-4-ol has a molecular weight of 302.19 g/mol, XLogP of 2.79, 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]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114681427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).