1-[(2S,3R)-3-amino-2-(2-fluorophenyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone

C20H23FN2O2 — CID 92595508

IUPAC1-[(2S,3R)-3-amino-2-(2-fluorophenyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC[C@@H](N)[C@@H]2c2ccccc2F)cc1
InChIInChI=1S/C20H23FN2O2/c1-25-15-10-8-14(9-11-15)13-19(24)23-12-4-7-18(22)20(23)16-5-2-3-6-17(16)21/h2-3,5-6,8-11,18,20H,4,7,12-13,22H2,1H3/t18-,20+/m1/s1
InChIKeyWIKDNOJPWKMHTJ-QUCCMNQESA-N
MW342.41 g/mol
LogP3.07
Rot. Bonds4

About 1-[(2S,3R)-3-amino-2-(2-fluorophenyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone

1-[(2S,3R)-3-amino-2-(2-fluorophenyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 92595508) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-[(2S,3R)-3-amino-2-(2-fluorophenyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[(2S,3R)-3-amino-2-(2-fluorophenyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID92595508
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name1-[(2S,3R)-3-amino-2-(2-fluorophenyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC[C@@H](N)[C@@H]2c2ccccc2F)cc1
InChIInChI=1S/C20H23FN2O2/c1-25-15-10-8-14(9-11-15)13-19(24)23-12-4-7-18(22)20(23)16-5-2-3-6-17(16)21/h2-3,5-6,8-11,18,20H,4,7,12-13,22H2,1H3/t18-,20+/m1/s1
InChIKeyWIKDNOJPWKMHTJ-QUCCMNQESA-N
XLogP3.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(2-fluorophenyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95053492
(2S,3R)-2-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-amine
CID 92595912
1-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 94041150
2-(4-chlorophenyl)-1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 94457878
2-(4-methoxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 51095038
1-[2-(bromomethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 74554965
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 50746973
2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 176781017
3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 46421185
1-[(2S,3S)-3-amino-2-(2-methoxyphenyl)piperidin-1-yl]-3-methylbutan-1-one
CID 122152309
1-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperidine-2-carboxamide
CID 166304545
1-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 94080739

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R)-3-amino-2-(2-fluorophenyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[(2S,3R)-3-amino-2-(2-fluorophenyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone (CID 92595508) is 1-[(2S,3R)-3-amino-2-(2-fluorophenyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[(2S,3R)-3-amino-2-(2-fluorophenyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[(2S,3R)-3-amino-2-(2-fluorophenyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCC[C@@H](N)[C@@H]2c2ccccc2F)cc1.
What is the InChIKey of 1-[(2S,3R)-3-amino-2-(2-fluorophenyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is WIKDNOJPWKMHTJ-QUCCMNQESA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-25-15-10-8-14(9-11-15)13-19(24)23-12-4-7-18(22)20(23)16-5-2-3-6-17(16)21/h2-3,5-6,8-11,18,20H,4,7,12-13,22H2,1H3/t18-,20+/m1/s1.
What are the key properties of 1-[(2S,3R)-3-amino-2-(2-fluorophenyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
1-[(2S,3R)-3-amino-2-(2-fluorophenyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 342.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R)-3-amino-2-(2-fluorophenyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 92595508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).