1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol

C16H23BrFNO — CID 106645115

IUPAC1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)c1cccc(Br)c1F)N1CCCCC1
InChIInChI=1S/C16H23BrFNO/c1-3-16(2,19-10-5-4-6-11-19)15(20)12-8-7-9-13(17)14(12)18/h7-9,15,20H,3-6,10-11H2,1-2H3
InChIKeyFYFMIMJXDYUJQO-UHFFFAOYSA-N
MW344.27 g/mol
LogP4.28
Rot. Bonds4

About 1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol

1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol (PubChem CID 106645115) has the molecular formula C16H23BrFNO and a molecular weight of 344.27 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
PubChem CID106645115
Molecular FormulaC16H23BrFNO
Molecular Weight344.27 g/mol
Exact Mass343.09
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)c1cccc(Br)c1F)N1CCCCC1
InChIInChI=1S/C16H23BrFNO/c1-3-16(2,19-10-5-4-6-11-19)15(20)12-8-7-9-13(17)14(12)18/h7-9,15,20H,3-6,10-11H2,1-2H3
InChIKeyFYFMIMJXDYUJQO-UHFFFAOYSA-N
XLogP4.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 106645806
1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79069250
1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-ol
CID 106645113
1-(4-bromothiophen-3-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79595416
1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79069176
1-(3-bromo-2-fluorophenyl)-2-ethyl-2-phenylbutan-1-ol
CID 106645055
1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
CID 82791751
1-(3-bromofuran-2-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79069635
1-(2-bromo-5-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79069489
1-(3-bromo-2-fluorophenyl)-3,3-dimethylbutane-1,2-diol
CID 106645237
2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol
CID 82792077
1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068482

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol (CID 106645115) is 1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol is CCC(C)(C(O)c1cccc(Br)c1F)N1CCCCC1.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol?
The InChIKey is FYFMIMJXDYUJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFNO/c1-3-16(2,19-10-5-4-6-11-19)15(20)12-8-7-9-13(17)14(12)18/h7-9,15,20H,3-6,10-11H2,1-2H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol?
1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol has a molecular weight of 344.27 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol is sourced from PubChem (CID 106645115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).