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

C13H17BrFNO — CID 103898107

IUPAC1-[(2-bromo-4-fluorophenyl)methyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(Cc2ccc(F)cc2Br)CC1O
InChIInChI=1S/C13H17BrFNO/c1-9-4-5-16(8-13(9)17)7-10-2-3-11(15)6-12(10)14/h2-3,6,9,13,17H,4-5,7-8H2,1H3
InChIKeyCHUCTCWCSILTOA-UHFFFAOYSA-N
MW302.19 g/mol
LogP2.79
Rot. Bonds2

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

1-[(2-bromo-4-fluorophenyl)methyl]-4-methylpiperidin-3-ol (PubChem CID 103898107) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 1-[(2-bromo-4-fluorophenyl)methyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[(2-bromo-4-fluorophenyl)methyl]-4-methylpiperidin-3-ol
PubChem CID103898107
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name1-[(2-bromo-4-fluorophenyl)methyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(Cc2ccc(F)cc2Br)CC1O
InChIInChI=1S/C13H17BrFNO/c1-9-4-5-16(8-13(9)17)7-10-2-3-11(15)6-12(10)14/h2-3,6,9,13,17H,4-5,7-8H2,1H3
InChIKeyCHUCTCWCSILTOA-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-4-fluorophenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63165132
1-[(2-bromo-4-nitrophenyl)methyl]-4-methylpiperidin-3-ol
CID 104926833
1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 114681427
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol
CID 105357465
1-[(2-bromo-4-fluorophenyl)methyl]-3-(chloromethyl)pyrrolidine
CID 63388702
1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 103501620
1-[(2-bromo-4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 63458175
(3S,4S)-1-[(2-bromo-4-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114086257
3-[(2-bromo-4-fluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927360
(3S)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-3-ol
CID 103882994
1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine
CID 60711879
1-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922355

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-4-methylpiperidin-3-ol (CID 103898107) is 1-[(2-bromo-4-fluorophenyl)methyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[(2-bromo-4-fluorophenyl)methyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[(2-bromo-4-fluorophenyl)methyl]-4-methylpiperidin-3-ol is CC1CCN(Cc2ccc(F)cc2Br)CC1O.
What is the InChIKey of 1-[(2-bromo-4-fluorophenyl)methyl]-4-methylpiperidin-3-ol?
The InChIKey is CHUCTCWCSILTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-9-4-5-16(8-13(9)17)7-10-2-3-11(15)6-12(10)14/h2-3,6,9,13,17H,4-5,7-8H2,1H3.
What are the key properties of 1-[(2-bromo-4-fluorophenyl)methyl]-4-methylpiperidin-3-ol?
1-[(2-bromo-4-fluorophenyl)methyl]-4-methylpiperidin-3-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-4-fluorophenyl)methyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 103898107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).