[4-(2-aminooxyethyl)piperidin-1-yl]-(2-bromophenyl)methanone

C14H19BrN2O2 — CID 84607755

IUPAC[4-(2-aminooxyethyl)piperidin-1-yl]-(2-bromophenyl)methanone
SMILESNOCCC1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C14H19BrN2O2/c15-13-4-2-1-3-12(13)14(18)17-8-5-11(6-9-17)7-10-19-16/h1-4,11H,5-10,16H2
InChIKeyFRBUWUPQYCXSLX-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.58
Rot. Bonds4

About [4-(2-aminooxyethyl)piperidin-1-yl]-(2-bromophenyl)methanone

[4-(2-aminooxyethyl)piperidin-1-yl]-(2-bromophenyl)methanone (PubChem CID 84607755) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is [4-(2-aminooxyethyl)piperidin-1-yl]-(2-bromophenyl)methanone.

Molecular Properties

Compound Name[4-(2-aminooxyethyl)piperidin-1-yl]-(2-bromophenyl)methanone
PubChem CID84607755
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name[4-(2-aminooxyethyl)piperidin-1-yl]-(2-bromophenyl)methanone
SMILESNOCCC1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C14H19BrN2O2/c15-13-4-2-1-3-12(13)14(18)17-8-5-11(6-9-17)7-10-19-16/h1-4,11H,5-10,16H2
InChIKeyFRBUWUPQYCXSLX-UHFFFAOYSA-N
XLogP2.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60776073
(2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348185
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 134020932
2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870210
(2-bromophenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494885
[1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 36802255
(2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 60954591
(2-hydrazinylphenyl)-(4-propylpiperidin-1-yl)methanone
CID 62243173
(2-bromophenyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone
CID 87011264
[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 108534141
1-[1-(2-bromobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione
CID 113083056
1-(2-bromobenzoyl)-N-tert-butylpiperidine-4-carboxamide
CID 39594396

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminooxyethyl)piperidin-1-yl]-(2-bromophenyl)methanone?
The IUPAC name of [4-(2-aminooxyethyl)piperidin-1-yl]-(2-bromophenyl)methanone (CID 84607755) is [4-(2-aminooxyethyl)piperidin-1-yl]-(2-bromophenyl)methanone.
What is the SMILES notation for [4-(2-aminooxyethyl)piperidin-1-yl]-(2-bromophenyl)methanone?
The canonical SMILES for [4-(2-aminooxyethyl)piperidin-1-yl]-(2-bromophenyl)methanone is NOCCC1CCN(C(=O)c2ccccc2Br)CC1.
What is the InChIKey of [4-(2-aminooxyethyl)piperidin-1-yl]-(2-bromophenyl)methanone?
The InChIKey is FRBUWUPQYCXSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-13-4-2-1-3-12(13)14(18)17-8-5-11(6-9-17)7-10-19-16/h1-4,11H,5-10,16H2.
What are the key properties of [4-(2-aminooxyethyl)piperidin-1-yl]-(2-bromophenyl)methanone?
[4-(2-aminooxyethyl)piperidin-1-yl]-(2-bromophenyl)methanone has a molecular weight of 327.22 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminooxyethyl)piperidin-1-yl]-(2-bromophenyl)methanone is sourced from PubChem (CID 84607755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).