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

C15H20BrFN2O — CID 60954864

IUPAC(4-bromo-2-fluorophenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
SMILESCN(C)CC1CCN(C(=O)c2ccc(Br)cc2F)CC1
InChIInChI=1S/C15H20BrFN2O/c1-18(2)10-11-5-7-19(8-6-11)15(20)13-4-3-12(16)9-14(13)17/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyPJCZVJJRPYEUQG-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.00
Rot. Bonds3

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

(4-bromo-2-fluorophenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone (PubChem CID 60954864) has the molecular formula C15H20BrFN2O and a molecular weight of 343.24 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
PubChem CID60954864
Molecular FormulaC15H20BrFN2O
Molecular Weight343.24 g/mol
Exact Mass342.07
IUPAC Name(4-bromo-2-fluorophenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
SMILESCN(C)CC1CCN(C(=O)c2ccc(Br)cc2F)CC1
InChIInChI=1S/C15H20BrFN2O/c1-18(2)10-11-5-7-19(8-6-11)15(20)13-4-3-12(16)9-14(13)17/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyPJCZVJJRPYEUQG-UHFFFAOYSA-N
XLogP3.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanone
CID 82966964
(4-bromo-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918089
(3S)-1-(4-bromo-2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 94917320
(2-bromo-5-methylphenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 81002288
(4-amino-3-methylpiperidin-1-yl)-(4-bromo-2-fluorophenyl)methanone
CID 79879444
(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55174313
(4-bromo-2-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43420911
N-[1-(4-bromo-2-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 113402341
(4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 47436089
1-[5-bromo-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanone
CID 82966882
(4-bromo-2-fluorophenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 79026053
[1-(4-bromo-2-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25475454

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The IUPAC name of (4-bromo-2-fluorophenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone (CID 60954864) is (4-bromo-2-fluorophenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-bromo-2-fluorophenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone is CN(C)CC1CCN(C(=O)c2ccc(Br)cc2F)CC1.
What is the InChIKey of (4-bromo-2-fluorophenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The InChIKey is PJCZVJJRPYEUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O/c1-18(2)10-11-5-7-19(8-6-11)15(20)13-4-3-12(16)9-14(13)17/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of (4-bromo-2-fluorophenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
(4-bromo-2-fluorophenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone has a molecular weight of 343.24 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 60954864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).