(3-bromo-4-methylphenyl)-piperidin-1-ylmethanone

C13H16BrNO — CID 675721

IUPAC(3-bromo-4-methylphenyl)-piperidin-1-ylmethanone
SMILESCc1ccc(C(=O)N2CCCCC2)cc1Br
InChIInChI=1S/C13H16BrNO/c1-10-5-6-11(9-12(10)14)13(16)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3
InChIKeyFVLDLKJJBILBIZ-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.38
Rot. Bonds1

About (3-bromo-4-methylphenyl)-piperidin-1-ylmethanone

(3-bromo-4-methylphenyl)-piperidin-1-ylmethanone (PubChem CID 675721) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-piperidin-1-ylmethanone
PubChem CID675721
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name(3-bromo-4-methylphenyl)-piperidin-1-ylmethanone
SMILESCc1ccc(C(=O)N2CCCCC2)cc1Br
InChIInChI=1S/C13H16BrNO/c1-10-5-6-11(9-12(10)14)13(16)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3
InChIKeyFVLDLKJJBILBIZ-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(3-bromo-4-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 79466924
(3-bromo-4-methylphenyl)-piperazin-1-ylmethanone
CID 81469486
(3-bromo-4-methylphenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 79458140
6-azaspiro[2.5]octan-6-yl-(3-bromo-4-methylphenyl)methanone
CID 167530654
1-(3-bromo-4-methylbenzoyl)piperidine-3-carbothioamide
CID 81471858
methyl (3S)-1-(3-bromo-4-methylbenzoyl)piperidine-3-carboxylate
CID 79458802
azocan-1-yl-(3-bromo-4-chlorophenyl)methanone
CID 103841525
(3-bromo-4-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 79459484
(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
CID 1121352
(3-bromo-4-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563275
(3-bromo-4-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 79458515
1-(3-bromo-4-methylbenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 81476577

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (3-bromo-4-methylphenyl)-piperidin-1-ylmethanone (CID 675721) is (3-bromo-4-methylphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-bromo-4-methylphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-bromo-4-methylphenyl)-piperidin-1-ylmethanone is Cc1ccc(C(=O)N2CCCCC2)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-piperidin-1-ylmethanone?
The InChIKey is FVLDLKJJBILBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-10-5-6-11(9-12(10)14)13(16)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of (3-bromo-4-methylphenyl)-piperidin-1-ylmethanone?
(3-bromo-4-methylphenyl)-piperidin-1-ylmethanone has a molecular weight of 282.18 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 675721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).