1-(3-amino-5-methylpiperidin-1-yl)-2-(4-bromophenyl)ethanone

C14H19BrN2O — CID 79993868

IUPAC1-(3-amino-5-methylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
SMILESCC1CC(N)CN(C(=O)Cc2ccc(Br)cc2)C1
InChIInChI=1S/C14H19BrN2O/c1-10-6-13(16)9-17(8-10)14(18)7-11-2-4-12(15)5-3-11/h2-5,10,13H,6-9,16H2,1H3
InChIKeyVIWKUXJODMVOTM-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.19
Rot. Bonds2

About 1-(3-amino-5-methylpiperidin-1-yl)-2-(4-bromophenyl)ethanone

1-(3-amino-5-methylpiperidin-1-yl)-2-(4-bromophenyl)ethanone (PubChem CID 79993868) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-(3-amino-5-methylpiperidin-1-yl)-2-(4-bromophenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-5-methylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
PubChem CID79993868
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-(3-amino-5-methylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
SMILESCC1CC(N)CN(C(=O)Cc2ccc(Br)cc2)C1
InChIInChI=1S/C14H19BrN2O/c1-10-6-13(16)9-17(8-10)14(18)7-11-2-4-12(15)5-3-11/h2-5,10,13H,6-9,16H2,1H3
InChIKeyVIWKUXJODMVOTM-UHFFFAOYSA-N
XLogP2.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-5-methylpiperidin-1-yl)-2-(4-nitrophenyl)ethanone
CID 79992733
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(4-bromophenyl)ethanone;hydrochloride
CID 119411406
[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 2460592
2-[4-(aminomethyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 63589232
2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 875891
1-(3-amino-5-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 79993365
1-(3-amino-5-methylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 79993746
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-bromophenyl)ethanone
CID 66212767
4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]benzonitrile
CID 55209268
2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 884392
1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 63753631
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(4-bromophenyl)ethanone;hydrochloride
CID 120658448

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-methylpiperidin-1-yl)-2-(4-bromophenyl)ethanone?
The IUPAC name of 1-(3-amino-5-methylpiperidin-1-yl)-2-(4-bromophenyl)ethanone (CID 79993868) is 1-(3-amino-5-methylpiperidin-1-yl)-2-(4-bromophenyl)ethanone.
What is the SMILES notation for 1-(3-amino-5-methylpiperidin-1-yl)-2-(4-bromophenyl)ethanone?
The canonical SMILES for 1-(3-amino-5-methylpiperidin-1-yl)-2-(4-bromophenyl)ethanone is CC1CC(N)CN(C(=O)Cc2ccc(Br)cc2)C1.
What is the InChIKey of 1-(3-amino-5-methylpiperidin-1-yl)-2-(4-bromophenyl)ethanone?
The InChIKey is VIWKUXJODMVOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-6-13(16)9-17(8-10)14(18)7-11-2-4-12(15)5-3-11/h2-5,10,13H,6-9,16H2,1H3.
What are the key properties of 1-(3-amino-5-methylpiperidin-1-yl)-2-(4-bromophenyl)ethanone?
1-(3-amino-5-methylpiperidin-1-yl)-2-(4-bromophenyl)ethanone has a molecular weight of 311.22 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-methylpiperidin-1-yl)-2-(4-bromophenyl)ethanone is sourced from PubChem (CID 79993868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).