1-(4-bromo-3-chloro-2-fluorophenyl)-3-piperidin-4-yloxypropan-1-one

C14H16BrClFNO2 — CID 106763987

IUPAC1-(4-bromo-3-chloro-2-fluorophenyl)-3-piperidin-4-yloxypropan-1-one
SMILESO=C(CCOC1CCNCC1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C14H16BrClFNO2/c15-11-2-1-10(14(17)13(11)16)12(19)5-8-20-9-3-6-18-7-4-9/h1-2,9,18H,3-8H2
InChIKeyGDDORFPRGUMLQI-UHFFFAOYSA-N
MW364.64 g/mol
LogP3.58
Rot. Bonds5

About 1-(4-bromo-3-chloro-2-fluorophenyl)-3-piperidin-4-yloxypropan-1-one

1-(4-bromo-3-chloro-2-fluorophenyl)-3-piperidin-4-yloxypropan-1-one (PubChem CID 106763987) has the molecular formula C14H16BrClFNO2 and a molecular weight of 364.64 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-fluorophenyl)-3-piperidin-4-yloxypropan-1-one.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-fluorophenyl)-3-piperidin-4-yloxypropan-1-one
PubChem CID106763987
Molecular FormulaC14H16BrClFNO2
Molecular Weight364.64 g/mol
Exact Mass363.00
IUPAC Name1-(4-bromo-3-chloro-2-fluorophenyl)-3-piperidin-4-yloxypropan-1-one
SMILESO=C(CCOC1CCNCC1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C14H16BrClFNO2/c15-11-2-1-10(14(17)13(11)16)12(19)5-8-20-9-3-6-18-7-4-9/h1-2,9,18H,3-8H2
InChIKeyGDDORFPRGUMLQI-UHFFFAOYSA-N
XLogP3.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.64
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichlorophenyl)-3-piperidin-4-yloxypropan-1-one
CID 114281145
1-(4-bromo-3-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-one
CID 106761854
1-(2-bromo-5-fluorophenyl)-4-piperidin-4-yloxybutan-2-one
CID 116572237
1-(4-bromo-3-chloro-2-fluorophenyl)decan-1-one
CID 106764158
1-phenyl-3-piperidin-4-yloxypropan-1-one
CID 116572261
1-(4-bromo-3-chloro-2-fluorophenyl)-3-(methylamino)propan-1-one
CID 106763954
1-(5-chloro-2-fluorophenyl)-4-piperidin-4-yloxybutan-2-one
CID 103052354
1-(4-bromo-3-chloro-2-fluorophenyl)-3-piperidin-3-ylbutan-1-one
CID 106764052
N-(2-chlorophenyl)-3-piperidin-4-yloxypropanamide
CID 63877513
N-(4-bromophenyl)-3-piperidin-4-yloxypropanamide
CID 63877337
1-(3-bromothiophen-2-yl)-4-piperidin-4-yloxybutan-2-one
CID 116572333
N-(2,6-dichloro-4-fluorophenyl)-3-piperidin-4-yloxypropanamide
CID 83077626

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-3-piperidin-4-yloxypropan-1-one?
The IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-3-piperidin-4-yloxypropan-1-one (CID 106763987) is 1-(4-bromo-3-chloro-2-fluorophenyl)-3-piperidin-4-yloxypropan-1-one.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-fluorophenyl)-3-piperidin-4-yloxypropan-1-one?
The canonical SMILES for 1-(4-bromo-3-chloro-2-fluorophenyl)-3-piperidin-4-yloxypropan-1-one is O=C(CCOC1CCNCC1)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 1-(4-bromo-3-chloro-2-fluorophenyl)-3-piperidin-4-yloxypropan-1-one?
The InChIKey is GDDORFPRGUMLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClFNO2/c15-11-2-1-10(14(17)13(11)16)12(19)5-8-20-9-3-6-18-7-4-9/h1-2,9,18H,3-8H2.
What are the key properties of 1-(4-bromo-3-chloro-2-fluorophenyl)-3-piperidin-4-yloxypropan-1-one?
1-(4-bromo-3-chloro-2-fluorophenyl)-3-piperidin-4-yloxypropan-1-one has a molecular weight of 364.64 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-fluorophenyl)-3-piperidin-4-yloxypropan-1-one is sourced from PubChem (CID 106763987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).