(2,4-difluorophenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone

C18H23F2NO3 — CID 72840549

IUPAC(2,4-difluorophenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(F)cc2F)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C18H23F2NO3/c1-12-11-21(17(22)15-3-2-14(19)10-16(15)20)7-6-18(12,23)13-4-8-24-9-5-13/h2-3,10,12-13,23H,4-9,11H2,1H3/t12-,18+/m1/s1
InChIKeyRIQZNEWKIKNBGF-XIKOKIGWSA-N
MW339.38 g/mol
LogP2.60
Rot. Bonds2

About (2,4-difluorophenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone

(2,4-difluorophenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone (PubChem CID 72840549) has the molecular formula C18H23F2NO3 and a molecular weight of 339.38 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone
PubChem CID72840549
Molecular FormulaC18H23F2NO3
Molecular Weight339.38 g/mol
Exact Mass339.16
IUPAC Name(2,4-difluorophenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(F)cc2F)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C18H23F2NO3/c1-12-11-21(17(22)15-3-2-14(19)10-16(15)20)7-6-18(12,23)13-4-8-24-9-5-13/h2-3,10,12-13,23H,4-9,11H2,1H3/t12-,18+/m1/s1
InChIKeyRIQZNEWKIKNBGF-XIKOKIGWSA-N
XLogP2.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
CID 72870061
[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone
CID 72889049
2-(4-fluoro-3-methylphenyl)-1-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]ethanone
CID 156605299
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
(3-aminopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 62069041
(3-bromopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 80677225
1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 72864225
1-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 156603880
(2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 68625081
(2,4-difluorophenyl)-[(4S,5S)-4-hydroxy-5-morpholin-4-ylazepan-1-yl]methanone
CID 118741490
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone
CID 72883504
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone
CID 156607362

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone (CID 72840549) is (2,4-difluorophenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone is C[C@@H]1CN(C(=O)c2ccc(F)cc2F)CC[C@@]1(O)C1CCOCC1.
What is the InChIKey of (2,4-difluorophenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone?
The InChIKey is RIQZNEWKIKNBGF-XIKOKIGWSA-N. The full InChI is InChI=1S/C18H23F2NO3/c1-12-11-21(17(22)15-3-2-14(19)10-16(15)20)7-6-18(12,23)13-4-8-24-9-5-13/h2-3,10,12-13,23H,4-9,11H2,1H3/t12-,18+/m1/s1.
What are the key properties of (2,4-difluorophenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone?
(2,4-difluorophenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone has a molecular weight of 339.38 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 72840549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).