(4-amino-2-methylpiperidin-1-yl)-(4-bromo-2-methoxyphenyl)methanone

C14H19BrN2O2 — CID 115369691

IUPAC(4-amino-2-methylpiperidin-1-yl)-(4-bromo-2-methoxyphenyl)methanone
SMILESCOc1cc(Br)ccc1C(=O)N1CCC(N)CC1C
InChIInChI=1S/C14H19BrN2O2/c1-9-7-11(16)5-6-17(9)14(18)12-4-3-10(15)8-13(12)19-2/h3-4,8-9,11H,5-7,16H2,1-2H3
InChIKeyZOEMFQWYQXTQCF-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.41
Rot. Bonds2

About (4-amino-2-methylpiperidin-1-yl)-(4-bromo-2-methoxyphenyl)methanone

(4-amino-2-methylpiperidin-1-yl)-(4-bromo-2-methoxyphenyl)methanone (PubChem CID 115369691) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is (4-amino-2-methylpiperidin-1-yl)-(4-bromo-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-amino-2-methylpiperidin-1-yl)-(4-bromo-2-methoxyphenyl)methanone
PubChem CID115369691
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name(4-amino-2-methylpiperidin-1-yl)-(4-bromo-2-methoxyphenyl)methanone
SMILESCOc1cc(Br)ccc1C(=O)N1CCC(N)CC1C
InChIInChI=1S/C14H19BrN2O2/c1-9-7-11(16)5-6-17(9)14(18)12-4-3-10(15)8-13(12)19-2/h3-4,8-9,11H,5-7,16H2,1-2H3
InChIKeyZOEMFQWYQXTQCF-UHFFFAOYSA-N
XLogP2.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 78987496
(4-amino-2-methylpiperidin-1-yl)-(5-bromo-2-hydroxyphenyl)methanone
CID 104872612
(4-bromo-2-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 79005801
(4-amino-2-methylpiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115312129
(4-bromo-2-methoxyphenyl)-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone
CID 167131809
1-(4-chloro-2-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741789
(4-bromo-2-methoxyphenyl)-[2-(bromomethyl)azepan-1-yl]methanone
CID 116639440
1-(4-bromo-2-methoxybenzoyl)pyrrolidine-2-carbonitrile
CID 115369074
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone
CID 124686970
(4-amino-2-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 103821494
(4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 78988655
1-[4-(4-bromo-2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 78988680

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylpiperidin-1-yl)-(4-bromo-2-methoxyphenyl)methanone?
The IUPAC name of (4-amino-2-methylpiperidin-1-yl)-(4-bromo-2-methoxyphenyl)methanone (CID 115369691) is (4-amino-2-methylpiperidin-1-yl)-(4-bromo-2-methoxyphenyl)methanone.
What is the SMILES notation for (4-amino-2-methylpiperidin-1-yl)-(4-bromo-2-methoxyphenyl)methanone?
The canonical SMILES for (4-amino-2-methylpiperidin-1-yl)-(4-bromo-2-methoxyphenyl)methanone is COc1cc(Br)ccc1C(=O)N1CCC(N)CC1C.
What is the InChIKey of (4-amino-2-methylpiperidin-1-yl)-(4-bromo-2-methoxyphenyl)methanone?
The InChIKey is ZOEMFQWYQXTQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-9-7-11(16)5-6-17(9)14(18)12-4-3-10(15)8-13(12)19-2/h3-4,8-9,11H,5-7,16H2,1-2H3.
What are the key properties of (4-amino-2-methylpiperidin-1-yl)-(4-bromo-2-methoxyphenyl)methanone?
(4-amino-2-methylpiperidin-1-yl)-(4-bromo-2-methoxyphenyl)methanone has a molecular weight of 327.22 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylpiperidin-1-yl)-(4-bromo-2-methoxyphenyl)methanone is sourced from PubChem (CID 115369691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).