(2-fluoro-4-hydroxyphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone

C18H25FN2O3 — CID 99928743

IUPAC(2-fluoro-4-hydroxyphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(O)cc1F)N1CCC(N2CCC[C@@H](CO)C2)CC1
InChIInChI=1S/C18H25FN2O3/c19-17-10-15(23)3-4-16(17)18(24)20-8-5-14(6-9-20)21-7-1-2-13(11-21)12-22/h3-4,10,13-14,22-23H,1-2,5-9,11-12H2/t13-/m1/s1
InChIKeyFTSBFMQLQAWPBC-CYBMUJFWSA-N
MW336.41 g/mol
LogP1.84
Rot. Bonds3

About (2-fluoro-4-hydroxyphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone

(2-fluoro-4-hydroxyphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 99928743) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is (2-fluoro-4-hydroxyphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-4-hydroxyphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
PubChem CID99928743
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name(2-fluoro-4-hydroxyphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(O)cc1F)N1CCC(N2CCC[C@@H](CO)C2)CC1
InChIInChI=1S/C18H25FN2O3/c19-17-10-15(23)3-4-16(17)18(24)20-8-5-14(6-9-20)21-7-1-2-13(11-21)12-22/h3-4,10,13-14,22-23H,1-2,5-9,11-12H2/t13-/m1/s1
InChIKeyFTSBFMQLQAWPBC-CYBMUJFWSA-N
XLogP1.84
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dihydroxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422462
(3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 103840749
(3-chloropyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 107677548
(2-fluoro-4-hydroxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 86819333
(4-chloro-3-methylphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
CID 99932218
2-(1,3-dihydroisoindol-2-yl)-1-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 125160944
(3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 103940151
[2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenyl)-3-pyridinyl]-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
CID 45247656
(2-fluoro-4-hydroxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 107674300
5-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 118780016
[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 138382958
[4-(3-aminopropoxy)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107677184

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-hydroxyphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-fluoro-4-hydroxyphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone (CID 99928743) is (2-fluoro-4-hydroxyphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-4-hydroxyphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-fluoro-4-hydroxyphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone is O=C(c1ccc(O)cc1F)N1CCC(N2CCC[C@@H](CO)C2)CC1.
What is the InChIKey of (2-fluoro-4-hydroxyphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is FTSBFMQLQAWPBC-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25FN2O3/c19-17-10-15(23)3-4-16(17)18(24)20-8-5-14(6-9-20)21-7-1-2-13(11-21)12-22/h3-4,10,13-14,22-23H,1-2,5-9,11-12H2/t13-/m1/s1.
What are the key properties of (2-fluoro-4-hydroxyphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone?
(2-fluoro-4-hydroxyphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 336.41 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-hydroxyphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 99928743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).