(2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone

C14H18Br2N2O — CID 113345204

IUPAC(2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc(Br)cc2Br)CC1
InChIInChI=1S/C14H18Br2N2O/c1-17(2)11-5-7-18(8-6-11)14(19)12-4-3-10(15)9-13(12)16/h3-4,9,11H,5-8H2,1-2H3
InChIKeyKUHPFKYYRGYVHE-UHFFFAOYSA-N
MW390.12 g/mol
LogP3.38
Rot. Bonds2

About (2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone

(2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 113345204) has the molecular formula C14H18Br2N2O and a molecular weight of 390.12 g/mol. Its IUPAC name is (2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
PubChem CID113345204
Molecular FormulaC14H18Br2N2O
Molecular Weight390.12 g/mol
Exact Mass387.98
IUPAC Name(2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc(Br)cc2Br)CC1
InChIInChI=1S/C14H18Br2N2O/c1-17(2)11-5-7-18(8-6-11)14(19)12-4-3-10(15)9-13(12)16/h3-4,9,11H,5-8H2,1-2H3
InChIKeyKUHPFKYYRGYVHE-UHFFFAOYSA-N
XLogP3.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.12
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43430549
(4-bromo-2-methylphenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 69150661
[4-(aminomethyl)piperidin-1-yl]-(2,4-dibromophenyl)methanone
CID 107939826
(2-bromo-5-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43430553
1-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 107940588
N-[1-(2,4-dibromobenzoyl)piperidin-4-yl]propanamide
CID 103882520
(4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone
CID 103882393
(2,4-dibromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 103883074
(4-chloro-3-methylpiperidin-1-yl)-(2,4-dibromophenyl)methanone
CID 107941466
(5-bromo-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63184756
methyl 4-(2,4-dibromobenzoyl)piperazine-1-carboxylate
CID 103882580
(4-bromo-2-methylphenyl)-[3-(dimethylamino)azetidin-1-yl]methanone
CID 172646801

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of (2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone (CID 113345204) is (2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCN(C(=O)c2ccc(Br)cc2Br)CC1.
What is the InChIKey of (2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is KUHPFKYYRGYVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O/c1-17(2)11-5-7-18(8-6-11)14(19)12-4-3-10(15)9-13(12)16/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of (2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone?
(2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 390.12 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 113345204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).