1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)ethanone

C14H19BrN2O2 — CID 124689447

IUPAC1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)ethanone
SMILESC[C@@H]1C[C@H](N)CCN1C(=O)COc1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-10-7-12(16)5-6-17(10)14(18)9-19-13-4-2-3-11(15)8-13/h2-4,8,10,12H,5-7,9,16H2,1H3/t10-,12-/m1/s1
InChIKeyGWMJNYAXXDVBCR-ZYHUDNBSSA-N
MW327.22 g/mol
LogP2.17
Rot. Bonds3

About 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)ethanone

1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)ethanone (PubChem CID 124689447) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)ethanone.

Molecular Properties

Compound Name1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)ethanone
PubChem CID124689447
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)ethanone
SMILESC[C@@H]1C[C@H](N)CCN1C(=O)COc1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-10-7-12(16)5-6-17(10)14(18)9-19-13-4-2-3-11(15)8-13/h2-4,8,10,12H,5-7,9,16H2,1H3/t10-,12-/m1/s1
InChIKeyGWMJNYAXXDVBCR-ZYHUDNBSSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)ethanone
CID 124691389
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 124687501
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-(3-bromophenyl)propan-1-one
CID 124689344
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-3-(3-bromophenyl)propan-1-one
CID 124691321
(2S)-1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)propan-1-one
CID 124692166
1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(3-chlorophenoxy)propan-1-one
CID 124693823
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
CID 124691222
3-[3-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-oxopropoxy]benzamide
CID 124691675
2-methyl-1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylic acid
CID 106741951
2-(3-bromophenoxy)-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 120569813
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 124691393
2-(3-bromophenoxy)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62372711

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)ethanone?
The IUPAC name of 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)ethanone (CID 124689447) is 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)ethanone.
What is the SMILES notation for 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)ethanone?
The canonical SMILES for 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)ethanone is C[C@@H]1C[C@H](N)CCN1C(=O)COc1cccc(Br)c1.
What is the InChIKey of 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)ethanone?
The InChIKey is GWMJNYAXXDVBCR-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-10-7-12(16)5-6-17(10)14(18)9-19-13-4-2-3-11(15)8-13/h2-4,8,10,12H,5-7,9,16H2,1H3/t10-,12-/m1/s1.
What are the key properties of 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)ethanone?
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)ethanone has a molecular weight of 327.22 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)ethanone is sourced from PubChem (CID 124689447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).