(2,6-difluorophenyl)-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methanone

C19H19F2NO3 — CID 655947

IUPAC(2,6-difluorophenyl)-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1ccc(C2(O)CCN(C(=O)c3c(F)cccc3F)CC2)cc1
InChIInChI=1S/C19H19F2NO3/c1-25-14-7-5-13(6-8-14)19(24)9-11-22(12-10-19)18(23)17-15(20)3-2-4-16(17)21/h2-8,24H,9-12H2,1H3
InChIKeyFBNHTSIUKFVGOM-UHFFFAOYSA-N
MW347.36 g/mol
LogP3.10
Rot. Bonds3

About (2,6-difluorophenyl)-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methanone

(2,6-difluorophenyl)-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methanone (PubChem CID 655947) has the molecular formula C19H19F2NO3 and a molecular weight of 347.36 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methanone
PubChem CID655947
Molecular FormulaC19H19F2NO3
Molecular Weight347.36 g/mol
Exact Mass347.13
IUPAC Name(2,6-difluorophenyl)-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1ccc(C2(O)CCN(C(=O)c3c(F)cccc3F)CC2)cc1
InChIInChI=1S/C19H19F2NO3/c1-25-14-7-5-13(6-8-14)19(24)9-11-22(12-10-19)18(23)17-15(20)3-2-4-16(17)21/h2-8,24H,9-12H2,1H3
InChIKeyFBNHTSIUKFVGOM-UHFFFAOYSA-N
XLogP3.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-Methoxyphenyl)piperidin-1-yl]-phenylmethanone
CID 2802386
[3-(4-Methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 1104784
(4-Fluoro-phenyl)-[4-(4-methoxy-benzoyl)-piperidin-1-yl]-methanone
CID 24746982
[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-(4-methoxy-phenyl)-methanone
CID 1438038
[4-[2-(2-fluoro-4-methoxyphenyl)ethynyl]phenyl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 60210803
(3,4-Dimethoxy-phenyl)-[4-(4-fluoro-phenyl)-4-hydroxy-piperidin-1-yl]-methanone
CID 3228788
[4-[4-[3-(Diethylamino)propoxy]phenyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 44275409
N,N-diethyl-4-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]benzamide
CID 44275620
[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-[(3R,5S)-4-hydroxy-4-(4-methoxyphenyl)-3,5-dimethylpiperidin-1-yl]methanone;hydrochloride
CID 46203843
[4-(3-Methoxyphenyl)piperidin-1-yl]-phenylmethanone
CID 53324279
[(4R,4aS,8aS)-4-hydroxy-4-(4-methoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-phenylmethanone
CID 54587104
(E)-3-(4-methoxyphenyl)-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]prop-2-en-1-one
CID 86579941

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methanone (CID 655947) is (2,6-difluorophenyl)-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methanone is COc1ccc(C2(O)CCN(C(=O)c3c(F)cccc3F)CC2)cc1.
What is the InChIKey of (2,6-difluorophenyl)-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methanone?
The InChIKey is FBNHTSIUKFVGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO3/c1-25-14-7-5-13(6-8-14)19(24)9-11-22(12-10-19)18(23)17-15(20)3-2-4-16(17)21/h2-8,24H,9-12H2,1H3.
What are the key properties of (2,6-difluorophenyl)-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methanone?
(2,6-difluorophenyl)-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methanone has a molecular weight of 347.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 655947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).