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

C15H22N2O3 — CID 124687501

IUPAC1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
SMILESCOc1cccc(OCC(=O)N2CC[C@H](N)C[C@H]2C)c1
InChIInChI=1S/C15H22N2O3/c1-11-8-12(16)6-7-17(11)15(18)10-20-14-5-3-4-13(9-14)19-2/h3-5,9,11-12H,6-8,10,16H2,1-2H3/t11-,12+/m1/s1
InChIKeyLCBFSBVOTPYUIY-NEPJUHHUSA-N
MW278.35 g/mol
LogP1.41
Rot. Bonds4

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

1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone (PubChem CID 124687501) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
PubChem CID124687501
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
SMILESCOc1cccc(OCC(=O)N2CC[C@H](N)C[C@H]2C)c1
InChIInChI=1S/C15H22N2O3/c1-11-8-12(16)6-7-17(11)15(18)10-20-14-5-3-4-13(9-14)19-2/h3-5,9,11-12H,6-8,10,16H2,1-2H3/t11-,12+/m1/s1
InChIKeyLCBFSBVOTPYUIY-NEPJUHHUSA-N
XLogP1.41
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)ethanone
CID 124689447
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)ethanone
CID 124691389
1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(3-chlorophenoxy)propan-1-one
CID 124693823
3-[3-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-oxopropoxy]benzamide
CID 124691675
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
CID 124691222
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone
CID 124686078
2-methyl-1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylic acid
CID 106741951
(2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 39165023
1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(2-benzylphenoxy)ethanone
CID 124693951
(3R,8aR)-2-[2-(3-methoxyphenoxy)acetyl]-3-methyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137342125
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 99607444
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-3-(3-bromophenyl)propan-1-one
CID 124691321

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone?
The IUPAC name of 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone (CID 124687501) is 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone?
The canonical SMILES for 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone is COc1cccc(OCC(=O)N2CC[C@H](N)C[C@H]2C)c1.
What is the InChIKey of 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone?
The InChIKey is LCBFSBVOTPYUIY-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-8-12(16)6-7-17(11)15(18)10-20-14-5-3-4-13(9-14)19-2/h3-5,9,11-12H,6-8,10,16H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone?
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone has a molecular weight of 278.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone is sourced from PubChem (CID 124687501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).