(2-bromo-4-fluorophenyl)-(3,4-dimethylpiperidin-1-yl)methanone

C14H17BrFNO — CID 115871773

IUPAC(2-bromo-4-fluorophenyl)-(3,4-dimethylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(F)cc2Br)CC1C
InChIInChI=1S/C14H17BrFNO/c1-9-5-6-17(8-10(9)2)14(18)12-4-3-11(16)7-13(12)15/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyDRKTZQLZSQJXIB-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.71
Rot. Bonds1

About (2-bromo-4-fluorophenyl)-(3,4-dimethylpiperidin-1-yl)methanone

(2-bromo-4-fluorophenyl)-(3,4-dimethylpiperidin-1-yl)methanone (PubChem CID 115871773) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-(3,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-(3,4-dimethylpiperidin-1-yl)methanone
PubChem CID115871773
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC Name(2-bromo-4-fluorophenyl)-(3,4-dimethylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(F)cc2Br)CC1C
InChIInChI=1S/C14H17BrFNO/c1-9-5-6-17(8-10(9)2)14(18)12-4-3-11(16)7-13(12)15/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyDRKTZQLZSQJXIB-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413824
(2-bromo-4-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43430549
(2-bromo-4-fluorophenyl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79404118
(2-bromo-4-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 119564487
(2-bromo-4-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63979402
(2,4-dibromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 103883074
(4-chloro-3-methylpiperidin-1-yl)-(2,4-dibromophenyl)methanone
CID 107941466
(3-bromo-4-methylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 102962015
(5-bromo-2-methylphenyl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115871730
(2-bromo-4-chlorophenyl)-(4-bromo-3-methylpiperidin-1-yl)methanone
CID 107994318
ethyl 1-(2-bromo-4-fluorobenzoyl)piperidine-4-carboxylate
CID 28834341
(2,5-dibromothiophen-3-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 103878368

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-(3,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (2-bromo-4-fluorophenyl)-(3,4-dimethylpiperidin-1-yl)methanone (CID 115871773) is (2-bromo-4-fluorophenyl)-(3,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-(3,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-bromo-4-fluorophenyl)-(3,4-dimethylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(F)cc2Br)CC1C.
What is the InChIKey of (2-bromo-4-fluorophenyl)-(3,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is DRKTZQLZSQJXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c1-9-5-6-17(8-10(9)2)14(18)12-4-3-11(16)7-13(12)15/h3-4,7,9-10H,5-6,8H2,1-2H3.
What are the key properties of (2-bromo-4-fluorophenyl)-(3,4-dimethylpiperidin-1-yl)methanone?
(2-bromo-4-fluorophenyl)-(3,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 314.20 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-(3,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 115871773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).