(5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone

C15H19BrFNO — CID 113241723

IUPAC(5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2cc(Br)ccc2F)CC1
InChIInChI=1S/C15H19BrFNO/c1-10(2)11-5-7-18(8-6-11)15(19)13-9-12(16)3-4-14(13)17/h3-4,9-11H,5-8H2,1-2H3
InChIKeyFLYBSQOWYGMMBG-UHFFFAOYSA-N
MW328.23 g/mol
LogP4.10
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone

(5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 113241723) has the molecular formula C15H19BrFNO and a molecular weight of 328.23 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID113241723
Molecular FormulaC15H19BrFNO
Molecular Weight328.23 g/mol
Exact Mass327.06
IUPAC Name(5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2cc(Br)ccc2F)CC1
InChIInChI=1S/C15H19BrFNO/c1-10(2)11-5-7-18(8-6-11)15(19)13-9-12(16)3-4-14(13)17/h3-4,9-11H,5-8H2,1-2H3
InChIKeyFLYBSQOWYGMMBG-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561523
1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide
CID 24699357
ethyl 1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxylate
CID 28826033
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55174313
(5-bromo-2-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678705
2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317604
(5-bromo-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63184756
2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 51299634
(5-bromo-2-fluorophenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
CID 115276511
(5-bromo-2-fluorophenyl)-(4-propan-2-ylcyclohexyl)methanone
CID 79742823
1-(5-bromo-2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 63006897

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone (CID 113241723) is (5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)c2cc(Br)ccc2F)CC1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is FLYBSQOWYGMMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c1-10(2)11-5-7-18(8-6-11)15(19)13-9-12(16)3-4-14(13)17/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
(5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 328.23 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 113241723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).