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

C21H26N2O2 — CID 124693951

IUPAC1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(2-benzylphenoxy)ethanone
SMILESC[C@H]1C[C@H](N)CCN1C(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-16-13-19(22)11-12-23(16)21(24)15-25-20-10-6-5-9-18(20)14-17-7-3-2-4-8-17/h2-10,16,19H,11-15,22H2,1H3/t16-,19+/m0/s1
InChIKeyOUJARYASVCKSSQ-QFBILLFUSA-N
MW338.45 g/mol
LogP2.99
Rot. Bonds5

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

1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(2-benzylphenoxy)ethanone (PubChem CID 124693951) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(2-benzylphenoxy)ethanone.

Molecular Properties

Compound Name1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(2-benzylphenoxy)ethanone
PubChem CID124693951
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(2-benzylphenoxy)ethanone
SMILESC[C@H]1C[C@H](N)CCN1C(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-16-13-19(22)11-12-23(16)21(24)15-25-20-10-6-5-9-18(20)14-17-7-3-2-4-8-17/h2-10,16,19H,11-15,22H2,1H3/t16-,19+/m0/s1
InChIKeyOUJARYASVCKSSQ-QFBILLFUSA-N
XLogP2.99
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 124691393
1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 78767258
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-benzylphenoxy)ethanone
CID 124611231
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[(2-chlorophenyl)methoxy]ethanone
CID 124691784
2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone
CID 78760780
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(4-benzylpiperazin-1-yl)ethanone
CID 124689394
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 124687501
methyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate
CID 8922558
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-1-one
CID 124689317
1-(4-amino-2-methylpiperidin-1-yl)-3-(2-fluorophenoxy)propan-1-one
CID 122149049
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-[benzyl(methyl)amino]ethanone
CID 124689387
1-[2-(2-chlorophenoxy)acetyl]-2-methylpiperidine-4-carboxylic acid
CID 106742122

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(2-benzylphenoxy)ethanone?
The IUPAC name of 1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(2-benzylphenoxy)ethanone (CID 124693951) is 1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(2-benzylphenoxy)ethanone.
What is the SMILES notation for 1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(2-benzylphenoxy)ethanone?
The canonical SMILES for 1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(2-benzylphenoxy)ethanone is C[C@H]1C[C@H](N)CCN1C(=O)COc1ccccc1Cc1ccccc1.
What is the InChIKey of 1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(2-benzylphenoxy)ethanone?
The InChIKey is OUJARYASVCKSSQ-QFBILLFUSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-13-19(22)11-12-23(16)21(24)15-25-20-10-6-5-9-18(20)14-17-7-3-2-4-8-17/h2-10,16,19H,11-15,22H2,1H3/t16-,19+/m0/s1.
What are the key properties of 1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(2-benzylphenoxy)ethanone?
1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(2-benzylphenoxy)ethanone has a molecular weight of 338.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(2-benzylphenoxy)ethanone is sourced from PubChem (CID 124693951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).