4-[4-(4-bromobenzoyl)-4-hydroxypiperidin-1-yl]-1-(2-chlorophenyl)butan-1-one

C22H23BrClNO3 — CID 21438455

IUPAC4-[4-(4-bromobenzoyl)-4-hydroxypiperidin-1-yl]-1-(2-chlorophenyl)butan-1-one
SMILESO=C(CCCN1CCC(O)(C(=O)c2ccc(Br)cc2)CC1)c1ccccc1Cl
InChIInChI=1S/C22H23BrClNO3/c23-17-9-7-16(8-10-17)21(27)22(28)11-14-25(15-12-22)13-3-6-20(26)18-4-1-2-5-19(18)24/h1-2,4-5,7-10,28H,3,6,11-15H2
InChIKeyRGBSJSQVBVMOPH-UHFFFAOYSA-N
MW464.79 g/mol
LogP4.78
Rot. Bonds7

About 4-[4-(4-bromobenzoyl)-4-hydroxypiperidin-1-yl]-1-(2-chlorophenyl)butan-1-one

4-[4-(4-bromobenzoyl)-4-hydroxypiperidin-1-yl]-1-(2-chlorophenyl)butan-1-one (PubChem CID 21438455) has the molecular formula C22H23BrClNO3 and a molecular weight of 464.79 g/mol. Its IUPAC name is 4-[4-(4-bromobenzoyl)-4-hydroxypiperidin-1-yl]-1-(2-chlorophenyl)butan-1-one.

Molecular Properties

Compound Name4-[4-(4-bromobenzoyl)-4-hydroxypiperidin-1-yl]-1-(2-chlorophenyl)butan-1-one
PubChem CID21438455
Molecular FormulaC22H23BrClNO3
Molecular Weight464.79 g/mol
Exact Mass463.05
IUPAC Name4-[4-(4-bromobenzoyl)-4-hydroxypiperidin-1-yl]-1-(2-chlorophenyl)butan-1-one
SMILESO=C(CCCN1CCC(O)(C(=O)c2ccc(Br)cc2)CC1)c1ccccc1Cl
InChIInChI=1S/C22H23BrClNO3/c23-17-9-7-16(8-10-17)21(27)22(28)11-14-25(15-12-22)13-3-6-20(26)18-4-1-2-5-19(18)24/h1-2,4-5,7-10,28H,3,6,11-15H2
InChIKeyRGBSJSQVBVMOPH-UHFFFAOYSA-N
XLogP4.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.79
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-4-[4-(3,4-dichlorobenzoyl)-4-hydroxypiperidin-1-yl]butan-1-one
CID 21438409
1-(4-bromophenyl)-4-(4,4-dimethylpiperidin-1-yl)butan-1-one
CID 63567923
4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 2448
4-bromo-1-(2-chlorophenyl)butan-1-one
CID 139813923
1-(4-bromophenyl)-4-(7,7-dimethyl-1,4-thiazepan-4-yl)butan-1-one
CID 107456835
4-(4-butylpiperidin-1-yl)-1-(2-chlorophenyl)butan-1-one
CID 57005847
4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one
CID 81103900
4-(4-acetylpiperazin-1-yl)-1-(4-bromophenyl)butan-1-one
CID 43229459
4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-butylphenyl)butan-1-one
CID 137444577
1-(2-aminophenyl)-6-piperidin-1-ylhexan-1-one
CID 54276686
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(3,4-dichlorophenyl)butan-1-one
CID 169436638
1-(4-fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one;hydrochloride
CID 13277351

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromobenzoyl)-4-hydroxypiperidin-1-yl]-1-(2-chlorophenyl)butan-1-one?
The IUPAC name of 4-[4-(4-bromobenzoyl)-4-hydroxypiperidin-1-yl]-1-(2-chlorophenyl)butan-1-one (CID 21438455) is 4-[4-(4-bromobenzoyl)-4-hydroxypiperidin-1-yl]-1-(2-chlorophenyl)butan-1-one.
What is the SMILES notation for 4-[4-(4-bromobenzoyl)-4-hydroxypiperidin-1-yl]-1-(2-chlorophenyl)butan-1-one?
The canonical SMILES for 4-[4-(4-bromobenzoyl)-4-hydroxypiperidin-1-yl]-1-(2-chlorophenyl)butan-1-one is O=C(CCCN1CCC(O)(C(=O)c2ccc(Br)cc2)CC1)c1ccccc1Cl.
What is the InChIKey of 4-[4-(4-bromobenzoyl)-4-hydroxypiperidin-1-yl]-1-(2-chlorophenyl)butan-1-one?
The InChIKey is RGBSJSQVBVMOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrClNO3/c23-17-9-7-16(8-10-17)21(27)22(28)11-14-25(15-12-22)13-3-6-20(26)18-4-1-2-5-19(18)24/h1-2,4-5,7-10,28H,3,6,11-15H2.
What are the key properties of 4-[4-(4-bromobenzoyl)-4-hydroxypiperidin-1-yl]-1-(2-chlorophenyl)butan-1-one?
4-[4-(4-bromobenzoyl)-4-hydroxypiperidin-1-yl]-1-(2-chlorophenyl)butan-1-one has a molecular weight of 464.79 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromobenzoyl)-4-hydroxypiperidin-1-yl]-1-(2-chlorophenyl)butan-1-one is sourced from PubChem (CID 21438455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).