(3-fluoro-4-hydroxyphenyl)-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methanone

C19H20FNO3 — CID 90671403

IUPAC(3-fluoro-4-hydroxyphenyl)-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methanone
SMILESO=C(c1ccc(CN2CCC(O)CC2)cc1)c1ccc(O)c(F)c1
InChIInChI=1S/C19H20FNO3/c20-17-11-15(5-6-18(17)23)19(24)14-3-1-13(2-4-14)12-21-9-7-16(22)8-10-21/h1-6,11,16,22-23H,7-10,12H2
InChIKeyKACOTQQTSDQWNO-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.72
Rot. Bonds4

About (3-fluoro-4-hydroxyphenyl)-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methanone

(3-fluoro-4-hydroxyphenyl)-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methanone (PubChem CID 90671403) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is (3-fluoro-4-hydroxyphenyl)-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-hydroxyphenyl)-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methanone
PubChem CID90671403
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name(3-fluoro-4-hydroxyphenyl)-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methanone
SMILESO=C(c1ccc(CN2CCC(O)CC2)cc1)c1ccc(O)c(F)c1
InChIInChI=1S/C19H20FNO3/c20-17-11-15(5-6-18(17)23)19(24)14-3-1-13(2-4-14)12-21-9-7-16(22)8-10-21/h1-6,11,16,22-23H,7-10,12H2
InChIKeyKACOTQQTSDQWNO-UHFFFAOYSA-N
XLogP2.72
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724260
1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
3-[2-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 76908281
(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724346
2-fluoro-4-[(4-propylpiperidin-1-yl)methyl]phenol
CID 107694032
4-(azepan-1-ylmethyl)-2-fluorophenol
CID 107693924
methyl 2-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]benzoate
CID 103749166
2-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]benzoic acid
CID 106699274
(4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724574
1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol
CID 70735974
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-(3-fluoro-4-hydroxyphenyl)methanone
CID 90671407

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-hydroxyphenyl)-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methanone?
The IUPAC name of (3-fluoro-4-hydroxyphenyl)-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methanone (CID 90671403) is (3-fluoro-4-hydroxyphenyl)-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for (3-fluoro-4-hydroxyphenyl)-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methanone?
The canonical SMILES for (3-fluoro-4-hydroxyphenyl)-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methanone is O=C(c1ccc(CN2CCC(O)CC2)cc1)c1ccc(O)c(F)c1.
What is the InChIKey of (3-fluoro-4-hydroxyphenyl)-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methanone?
The InChIKey is KACOTQQTSDQWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c20-17-11-15(5-6-18(17)23)19(24)14-3-1-13(2-4-14)12-21-9-7-16(22)8-10-21/h1-6,11,16,22-23H,7-10,12H2.
What are the key properties of (3-fluoro-4-hydroxyphenyl)-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methanone?
(3-fluoro-4-hydroxyphenyl)-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methanone has a molecular weight of 329.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-hydroxyphenyl)-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 90671403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).