1-(2-bromo-4-fluorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-ol

C16H23BrFNO — CID 70061186

IUPAC1-(2-bromo-4-fluorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-ol
SMILESCC1(C)CCN(CCC(O)c2ccc(F)cc2Br)CC1
InChIInChI=1S/C16H23BrFNO/c1-16(2)6-9-19(10-7-16)8-5-15(20)13-4-3-12(18)11-14(13)17/h3-4,11,15,20H,5-10H2,1-2H3
InChIKeyZUROGUHZVIRUJP-UHFFFAOYSA-N
MW344.27 g/mol
LogP4.13
Rot. Bonds4

About 1-(2-bromo-4-fluorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-ol

1-(2-bromo-4-fluorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-ol (PubChem CID 70061186) has the molecular formula C16H23BrFNO and a molecular weight of 344.27 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-ol
PubChem CID70061186
Molecular FormulaC16H23BrFNO
Molecular Weight344.27 g/mol
Exact Mass343.09
IUPAC Name1-(2-bromo-4-fluorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-ol
SMILESCC1(C)CCN(CCC(O)c2ccc(F)cc2Br)CC1
InChIInChI=1S/C16H23BrFNO/c1-16(2)6-9-19(10-7-16)8-5-15(20)13-4-3-12(18)11-14(13)17/h3-4,11,15,20H,5-10H2,1-2H3
InChIKeyZUROGUHZVIRUJP-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-ol (CID 70061186) is 1-(2-bromo-4-fluorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-ol is CC1(C)CCN(CCC(O)c2ccc(F)cc2Br)CC1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-ol?
The InChIKey is ZUROGUHZVIRUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFNO/c1-16(2)6-9-19(10-7-16)8-5-15(20)13-4-3-12(18)11-14(13)17/h3-4,11,15,20H,5-10H2,1-2H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-ol?
1-(2-bromo-4-fluorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-ol has a molecular weight of 344.27 g/mol, XLogP of 4.13, 4 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)-3-(4,4-dimethylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 70061186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).