(2-bromo-4-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone

C14H18BrFN2O — CID 43430549

IUPAC(2-bromo-4-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc(F)cc2Br)CC1
InChIInChI=1S/C14H18BrFN2O/c1-17(2)11-5-7-18(8-6-11)14(19)12-4-3-10(16)9-13(12)15/h3-4,9,11H,5-8H2,1-2H3
InChIKeyDTAHCBZGVFJORJ-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.75
Rot. Bonds2

About (2-bromo-4-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone

(2-bromo-4-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 43430549) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
PubChem CID43430549
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name(2-bromo-4-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc(F)cc2Br)CC1
InChIInChI=1S/C14H18BrFN2O/c1-17(2)11-5-7-18(8-6-11)14(19)12-4-3-10(16)9-13(12)15/h3-4,9,11H,5-8H2,1-2H3
InChIKeyDTAHCBZGVFJORJ-UHFFFAOYSA-N
XLogP2.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-5-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43430553
(2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 113345204
(2-bromo-4-fluorophenyl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115871773
(2-bromo-4-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63979402
(2-bromo-4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413824
ethyl 1-(2-bromo-4-fluorobenzoyl)piperidine-4-carboxylate
CID 28834341
(2-bromo-4-fluorophenyl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79404118
(2-bromo-4-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81486307
[3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79881812
(2-bromo-4-fluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 79036772
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48734174
(2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 60698441

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of (2-bromo-4-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone (CID 43430549) is (2-bromo-4-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2-bromo-4-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCN(C(=O)c2ccc(F)cc2Br)CC1.
What is the InChIKey of (2-bromo-4-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is DTAHCBZGVFJORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-17(2)11-5-7-18(8-6-11)14(19)12-4-3-10(16)9-13(12)15/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of (2-bromo-4-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone?
(2-bromo-4-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 329.21 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 43430549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).