(5-amino-2-bromophenyl)-(2,3-dimethylpiperidin-1-yl)methanone

C14H19BrN2O — CID 62122988

IUPAC(5-amino-2-bromophenyl)-(2,3-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(N)ccc2Br)C1C
InChIInChI=1S/C14H19BrN2O/c1-9-4-3-7-17(10(9)2)14(18)12-8-11(16)5-6-13(12)15/h5-6,8-10H,3-4,7,16H2,1-2H3
InChIKeyWPXOEZHFJXISTB-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.29
Rot. Bonds1

About (5-amino-2-bromophenyl)-(2,3-dimethylpiperidin-1-yl)methanone

(5-amino-2-bromophenyl)-(2,3-dimethylpiperidin-1-yl)methanone (PubChem CID 62122988) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is (5-amino-2-bromophenyl)-(2,3-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-bromophenyl)-(2,3-dimethylpiperidin-1-yl)methanone
PubChem CID62122988
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name(5-amino-2-bromophenyl)-(2,3-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(N)ccc2Br)C1C
InChIInChI=1S/C14H19BrN2O/c1-9-4-3-7-17(10(9)2)14(18)12-8-11(16)5-6-13(12)15/h5-6,8-10H,3-4,7,16H2,1-2H3
InChIKeyWPXOEZHFJXISTB-UHFFFAOYSA-N
XLogP3.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(5-amino-2-bromobenzoyl)pyrrolidine-2-carboxylic acid
CID 113281253
(2-amino-5-chlorophenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62123342
(5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 65309438
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(5-amino-2-bromophenyl)methanone
CID 82746670
(2-amino-5-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62124769
3-(2,3-dimethylpiperidine-1-carbonyl)-4-methylbenzenesulfonamide
CID 62124684
(5-amino-1H-indol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 63118334
(4-amino-3-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62123341
(5-amino-2-bromophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882272
(2R,3R)-1-(2-bromo-5-fluorobenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122115089
(4-bromo-2-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 79005801
(4-amino-1-methylpyrrol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62122802

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-bromophenyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-2-bromophenyl)-(2,3-dimethylpiperidin-1-yl)methanone (CID 62122988) is (5-amino-2-bromophenyl)-(2,3-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-bromophenyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-2-bromophenyl)-(2,3-dimethylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cc(N)ccc2Br)C1C.
What is the InChIKey of (5-amino-2-bromophenyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The InChIKey is WPXOEZHFJXISTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-9-4-3-7-17(10(9)2)14(18)12-8-11(16)5-6-13(12)15/h5-6,8-10H,3-4,7,16H2,1-2H3.
What are the key properties of (5-amino-2-bromophenyl)-(2,3-dimethylpiperidin-1-yl)methanone?
(5-amino-2-bromophenyl)-(2,3-dimethylpiperidin-1-yl)methanone has a molecular weight of 311.22 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-bromophenyl)-(2,3-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 62122988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).