(4-bromo-2-fluorophenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone

C19H19BrFNO2 — CID 46402075

IUPAC(4-bromo-2-fluorophenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1F)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C19H19BrFNO2/c20-15-6-7-16(17(21)12-15)19(24)22-10-8-14(9-11-22)18(23)13-4-2-1-3-5-13/h1-7,12,14,18,23H,8-11H2
InChIKeyWDGMQFBICQBTPK-UHFFFAOYSA-N
MW392.27 g/mol
LogP4.17
Rot. Bonds3

About (4-bromo-2-fluorophenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone

(4-bromo-2-fluorophenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone (PubChem CID 46402075) has the molecular formula C19H19BrFNO2 and a molecular weight of 392.27 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
PubChem CID46402075
Molecular FormulaC19H19BrFNO2
Molecular Weight392.27 g/mol
Exact Mass391.06
IUPAC Name(4-bromo-2-fluorophenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1F)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C19H19BrFNO2/c20-15-6-7-16(17(21)12-15)19(24)22-10-8-14(9-11-22)18(23)13-4-2-1-3-5-13/h1-7,12,14,18,23H,8-11H2
InChIKeyWDGMQFBICQBTPK-UHFFFAOYSA-N
XLogP4.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.27
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Bromperidol
CID 2448
[4-[4-[(4-Bromophenyl)-hydroxy-methyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2,6-dimethylphenyl)methanone
CID 511298
1-(4-Bromophenyl)-4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one
CID 137419085
(4-Fluorophenyl)-[4-[4-(4-fluorophenyl)-4-hydroxybutyl]-3-methylpiperazin-1-yl]methanone
CID 10620306
[4-[2-(4-Fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-phenylmethanone
CID 53524249
(3-Bromophenyl)(4-(((4-fluorobenzyl)oxy)methyl)piperidin-1-yl)methanone
CID 71784875
(3,5-difluorophenyl)-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]methanone
CID 92445250
Bromperidol hydrochloride
CID 164517260
[4-[2-Hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]-phenylmethanone
CID 178338066
[(S)-3-[(benzyloxy)methyl]-1-piperidyl](p-bromophenyl)methanone
CID 52314436
2-bromo-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 71782256
3-[(4-Bromophenyl)methoxy]-1-[4-(trifluoromethyl)benzoyl]piperidine
CID 46028816

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (4-bromo-2-fluorophenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone (CID 46402075) is (4-bromo-2-fluorophenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-bromo-2-fluorophenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone is O=C(c1ccc(Br)cc1F)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of (4-bromo-2-fluorophenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is WDGMQFBICQBTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFNO2/c20-15-6-7-16(17(21)12-15)19(24)22-10-8-14(9-11-22)18(23)13-4-2-1-3-5-13/h1-7,12,14,18,23H,8-11H2.
What are the key properties of (4-bromo-2-fluorophenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
(4-bromo-2-fluorophenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 392.27 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 46402075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).