[1-(5-bromo-2-nitrophenyl)piperidin-4-yl]-(4-fluorophenyl)methanol

C18H18BrFN2O3 — CID 133388670

IUPAC[1-(5-bromo-2-nitrophenyl)piperidin-4-yl]-(4-fluorophenyl)methanol
SMILESO=[N+]([O-])c1ccc(Br)cc1N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H18BrFN2O3/c19-14-3-6-16(22(24)25)17(11-14)21-9-7-13(8-10-21)18(23)12-1-4-15(20)5-2-12/h1-6,11,13,18,23H,7-10H2
InChIKeyFXRYLHRCNLNMLP-UHFFFAOYSA-N
MW409.26 g/mol
LogP4.45
Rot. Bonds4

About [1-(5-bromo-2-nitrophenyl)piperidin-4-yl]-(4-fluorophenyl)methanol

[1-(5-bromo-2-nitrophenyl)piperidin-4-yl]-(4-fluorophenyl)methanol (PubChem CID 133388670) has the molecular formula C18H18BrFN2O3 and a molecular weight of 409.26 g/mol. Its IUPAC name is [1-(5-bromo-2-nitrophenyl)piperidin-4-yl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[1-(5-bromo-2-nitrophenyl)piperidin-4-yl]-(4-fluorophenyl)methanol
PubChem CID133388670
Molecular FormulaC18H18BrFN2O3
Molecular Weight409.26 g/mol
Exact Mass408.05
IUPAC Name[1-(5-bromo-2-nitrophenyl)piperidin-4-yl]-(4-fluorophenyl)methanol
SMILESO=[N+]([O-])c1ccc(Br)cc1N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H18BrFN2O3/c19-14-3-6-16(22(24)25)17(11-14)21-9-7-13(8-10-21)18(23)12-1-4-15(20)5-2-12/h1-6,11,13,18,23H,7-10H2
InChIKeyFXRYLHRCNLNMLP-UHFFFAOYSA-N
XLogP4.45
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.26
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl)-[1-[5-(hydroxymethyl)-2-nitrophenyl]piperidin-4-yl]methanol
CID 133437706
4-(5-bromo-2-nitrophenyl)morpholine
CID 71651965
1-[1-(5-bromo-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
CID 65343117
1-(5-bromo-2-nitrophenyl)-3-methylpiperidin-4-amine
CID 79867412
1-(5-fluoro-2-nitrophenyl)piperidin-4-one
CID 62377786
(4-chlorophenyl)-[1-[3-(difluoromethoxy)-4-nitrophenyl]piperidin-4-yl]methanol
CID 133321404
4-bromo-2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-6-fluorobenzamide
CID 133441348
2,2,2-trifluoro-1-[1-[5-(hydroxymethyl)-2-nitrophenyl]piperidin-4-yl]ethanol
CID 133438430
1-(5-bromo-2-nitrophenyl)-N-(2-methoxyphenyl)piperidin-4-amine
CID 133368865
1-[1-[4-[(1S)-1-hydroxyethyl]-2-nitrophenyl]piperidin-4-yl]ethanol
CID 106836482
[1-[(4-bromo-2-nitrophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol
CID 114382279
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-5-nitrobenzonitrile
CID 24651458

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-nitrophenyl)piperidin-4-yl]-(4-fluorophenyl)methanol?
The IUPAC name of [1-(5-bromo-2-nitrophenyl)piperidin-4-yl]-(4-fluorophenyl)methanol (CID 133388670) is [1-(5-bromo-2-nitrophenyl)piperidin-4-yl]-(4-fluorophenyl)methanol.
What is the SMILES notation for [1-(5-bromo-2-nitrophenyl)piperidin-4-yl]-(4-fluorophenyl)methanol?
The canonical SMILES for [1-(5-bromo-2-nitrophenyl)piperidin-4-yl]-(4-fluorophenyl)methanol is O=[N+]([O-])c1ccc(Br)cc1N1CCC(C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(5-bromo-2-nitrophenyl)piperidin-4-yl]-(4-fluorophenyl)methanol?
The InChIKey is FXRYLHRCNLNMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O3/c19-14-3-6-16(22(24)25)17(11-14)21-9-7-13(8-10-21)18(23)12-1-4-15(20)5-2-12/h1-6,11,13,18,23H,7-10H2.
What are the key properties of [1-(5-bromo-2-nitrophenyl)piperidin-4-yl]-(4-fluorophenyl)methanol?
[1-(5-bromo-2-nitrophenyl)piperidin-4-yl]-(4-fluorophenyl)methanol has a molecular weight of 409.26 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-nitrophenyl)piperidin-4-yl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 133388670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).