2-(3-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one

C15H21BrN2O2 — CID 119562871

IUPAC2-(3-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
SMILESCNC1CCN(C(=O)C(C)Oc2cccc(Br)c2)CC1
InChIInChI=1S/C15H21BrN2O2/c1-11(20-14-5-3-4-12(16)10-14)15(19)18-8-6-13(17-2)7-9-18/h3-5,10-11,13,17H,6-9H2,1-2H3
InChIKeyCKLJWYOJPXCLIC-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.43
Rot. Bonds4

About 2-(3-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one

2-(3-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one (PubChem CID 119562871) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(3-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
PubChem CID119562871
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-(3-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
SMILESCNC1CCN(C(=O)C(C)Oc2cccc(Br)c2)CC1
InChIInChI=1S/C15H21BrN2O2/c1-11(20-14-5-3-4-12(16)10-14)15(19)18-8-6-13(17-2)7-9-18/h3-5,10-11,13,17H,6-9H2,1-2H3
InChIKeyCKLJWYOJPXCLIC-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenoxy)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 71998567
2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119563255
2-(3-bromophenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119397803
1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one;hydrochloride
CID 119563868
2-(3-bromophenoxy)-N-cyclopentylpropanamide
CID 43082983
2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250209
2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one
CID 55185310
1-[2-(3-bromophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 119176168
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(3-methylphenoxy)propan-1-one
CID 119644184
1-[4-(methylamino)piperidin-1-yl]-2-phenyl-2-(3-propan-2-ylphenoxy)ethanone
CID 119560633
2-[(3-bromophenyl)methyl]-4-methyl-1-[4-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119560165
2-(3-acetylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119622024

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-(3-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one (CID 119562871) is 2-(3-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(3-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-(3-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one is CNC1CCN(C(=O)C(C)Oc2cccc(Br)c2)CC1.
What is the InChIKey of 2-(3-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one?
The InChIKey is CKLJWYOJPXCLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-11(20-14-5-3-4-12(16)10-14)15(19)18-8-6-13(17-2)7-9-18/h3-5,10-11,13,17H,6-9H2,1-2H3.
What are the key properties of 2-(3-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one?
2-(3-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one has a molecular weight of 341.25 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119562871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).