(2-fluoro-3-methylphenyl)-[(3R)-3-(2-methoxyethyl)piperidin-1-yl]methanone

C16H22FNO2 — CID 124752994

IUPAC(2-fluoro-3-methylphenyl)-[(3R)-3-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCC[C@H]1CCCN(C(=O)c2cccc(C)c2F)C1
InChIInChI=1S/C16H22FNO2/c1-12-5-3-7-14(15(12)17)16(19)18-9-4-6-13(11-18)8-10-20-2/h3,5,7,13H,4,6,8-11H2,1-2H3/t13-/m1/s1
InChIKeyKWHHJKXKYBWOAZ-CYBMUJFWSA-N
MW279.35 g/mol
LogP3.02
Rot. Bonds4

About (2-fluoro-3-methylphenyl)-[(3R)-3-(2-methoxyethyl)piperidin-1-yl]methanone

(2-fluoro-3-methylphenyl)-[(3R)-3-(2-methoxyethyl)piperidin-1-yl]methanone (PubChem CID 124752994) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is (2-fluoro-3-methylphenyl)-[(3R)-3-(2-methoxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-3-methylphenyl)-[(3R)-3-(2-methoxyethyl)piperidin-1-yl]methanone
PubChem CID124752994
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name(2-fluoro-3-methylphenyl)-[(3R)-3-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCC[C@H]1CCCN(C(=O)c2cccc(C)c2F)C1
InChIInChI=1S/C16H22FNO2/c1-12-5-3-7-14(15(12)17)16(19)18-9-4-6-13(11-18)8-10-20-2/h3,5,7,13H,4,6,8-11H2,1-2H3/t13-/m1/s1
InChIKeyKWHHJKXKYBWOAZ-CYBMUJFWSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103765514
[3-(bromomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81479115
(2-fluoro-3-methylphenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115775406
(5-fluoro-2-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96572024
(2-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 113339182
[3-(bromomethyl)pyrrolidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81478415
(2-methoxy-6-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97117578
[2-(4-fluorophenyl)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 70713781
3-[1-(2,3-difluoro-4-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 146109373
(2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 81481180
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 43430135
(2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403219

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methylphenyl)-[(3R)-3-(2-methoxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-fluoro-3-methylphenyl)-[(3R)-3-(2-methoxyethyl)piperidin-1-yl]methanone (CID 124752994) is (2-fluoro-3-methylphenyl)-[(3R)-3-(2-methoxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-3-methylphenyl)-[(3R)-3-(2-methoxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-fluoro-3-methylphenyl)-[(3R)-3-(2-methoxyethyl)piperidin-1-yl]methanone is COCC[C@H]1CCCN(C(=O)c2cccc(C)c2F)C1.
What is the InChIKey of (2-fluoro-3-methylphenyl)-[(3R)-3-(2-methoxyethyl)piperidin-1-yl]methanone?
The InChIKey is KWHHJKXKYBWOAZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-12-5-3-7-14(15(12)17)16(19)18-9-4-6-13(11-18)8-10-20-2/h3,5,7,13H,4,6,8-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (2-fluoro-3-methylphenyl)-[(3R)-3-(2-methoxyethyl)piperidin-1-yl]methanone?
(2-fluoro-3-methylphenyl)-[(3R)-3-(2-methoxyethyl)piperidin-1-yl]methanone has a molecular weight of 279.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methylphenyl)-[(3R)-3-(2-methoxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124752994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).