1-(4-bromo-2-chlorophenyl)-3-piperidin-3-ylpropan-2-one

C14H17BrClNO — CID 116564193

IUPAC1-(4-bromo-2-chlorophenyl)-3-piperidin-3-ylpropan-2-one
SMILESO=C(Cc1ccc(Br)cc1Cl)CC1CCCNC1
InChIInChI=1S/C14H17BrClNO/c15-12-4-3-11(14(16)8-12)7-13(18)6-10-2-1-5-17-9-10/h3-4,8,10,17H,1-2,5-7,9H2
InChIKeyPSXMPDJLFZYPOH-UHFFFAOYSA-N
MW330.65 g/mol
LogP3.60
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-3-piperidin-3-ylpropan-2-one

1-(4-bromo-2-chlorophenyl)-3-piperidin-3-ylpropan-2-one (PubChem CID 116564193) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-piperidin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-piperidin-3-ylpropan-2-one
PubChem CID116564193
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-piperidin-3-ylpropan-2-one
SMILESO=C(Cc1ccc(Br)cc1Cl)CC1CCCNC1
InChIInChI=1S/C14H17BrClNO/c15-12-4-3-11(14(16)8-12)7-13(18)6-10-2-1-5-17-9-10/h3-4,8,10,17H,1-2,5-7,9H2
InChIKeyPSXMPDJLFZYPOH-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromothiophen-2-yl)-3-piperidin-3-ylpropan-2-one
CID 116564275
1-(2-chloro-4-fluorophenyl)-4-piperidin-3-ylbutan-2-one
CID 116562301
2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119459765
5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628689
1-(4-iodophenyl)-3-piperidin-3-ylpropan-2-one
CID 116564283
1-(4-bromo-2-chlorophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one
CID 116593495
1-(3,5-difluorophenyl)-3-piperidin-3-ylpropan-2-one
CID 105411916
1-(5-ethylthiophen-2-yl)-3-piperidin-3-ylpropan-2-one
CID 116564334
1-(3-hydroxyphenyl)-3-piperidin-3-ylpropan-2-one
CID 116564113
1-(4-bromophenyl)-4-piperidin-3-ylbutan-2-one
CID 116562297
1-(3-bromo-4-methoxyphenyl)-3-piperidin-3-ylpropan-2-one
CID 116564329
3-[1-(4-bromo-2-chlorophenyl)-2-fluoropropan-2-yl]piperidine
CID 113471739

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-piperidin-3-ylpropan-2-one?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-piperidin-3-ylpropan-2-one (CID 116564193) is 1-(4-bromo-2-chlorophenyl)-3-piperidin-3-ylpropan-2-one.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-piperidin-3-ylpropan-2-one?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-piperidin-3-ylpropan-2-one is O=C(Cc1ccc(Br)cc1Cl)CC1CCCNC1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-piperidin-3-ylpropan-2-one?
The InChIKey is PSXMPDJLFZYPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c15-12-4-3-11(14(16)8-12)7-13(18)6-10-2-1-5-17-9-10/h3-4,8,10,17H,1-2,5-7,9H2.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-piperidin-3-ylpropan-2-one?
1-(4-bromo-2-chlorophenyl)-3-piperidin-3-ylpropan-2-one has a molecular weight of 330.65 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-piperidin-3-ylpropan-2-one is sourced from PubChem (CID 116564193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).