1-[4-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-1-yl]ethanone

C15H21BrN2O2 — CID 43224255

IUPAC1-[4-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-1-yl]ethanone
SMILESCOc1ccc(Br)cc1CNC1CCN(C(C)=O)CC1
InChIInChI=1S/C15H21BrN2O2/c1-11(19)18-7-5-14(6-8-18)17-10-12-9-13(16)3-4-15(12)20-2/h3-4,9,14,17H,5-8,10H2,1-2H3
InChIKeyBBBDGYITMQDJCZ-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.56
Rot. Bonds4

About 1-[4-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-1-yl]ethanone

1-[4-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-1-yl]ethanone (PubChem CID 43224255) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-[4-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-1-yl]ethanone
PubChem CID43224255
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name1-[4-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-1-yl]ethanone
SMILESCOc1ccc(Br)cc1CNC1CCN(C(C)=O)CC1
InChIInChI=1S/C15H21BrN2O2/c1-11(19)18-7-5-14(6-8-18)17-10-12-9-13(16)3-4-15(12)20-2/h3-4,9,14,17H,5-8,10H2,1-2H3
InChIKeyBBBDGYITMQDJCZ-UHFFFAOYSA-N
XLogP2.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 103792409
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
1-[4-[(4-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224288
4-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-chlorophenyl]methylamino]piperidine-1-carboxylic acid
CID 22744690
(3R)-1-acetyl-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 52512867
N-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide
CID 78988011
2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 43277676
1-[4-[2-(2-methoxyphenyl)ethylamino]piperidin-1-yl]ethanone
CID 23768743
1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43745932
ethyl 4-[[N-[(5-bromo-2-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111330058
N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dioxothian-3-amine
CID 63924079
N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine
CID 63360472

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-1-yl]ethanone (CID 43224255) is 1-[4-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-1-yl]ethanone is COc1ccc(Br)cc1CNC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-1-yl]ethanone?
The InChIKey is BBBDGYITMQDJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-11(19)18-7-5-14(6-8-18)17-10-12-9-13(16)3-4-15(12)20-2/h3-4,9,14,17H,5-8,10H2,1-2H3.
What are the key properties of 1-[4-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-1-yl]ethanone?
1-[4-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-1-yl]ethanone has a molecular weight of 341.25 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43224255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).