(5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone

C13H16FNO3 — CID 82481714

IUPAC(5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCOc1ccc(F)cc1C(=O)N1CCC(O)CC1
InChIInChI=1S/C13H16FNO3/c1-18-12-3-2-9(14)8-11(12)13(17)15-6-4-10(16)5-7-15/h2-3,8,10,16H,4-7H2,1H3
InChIKeyOUAVUMWKAKIAKA-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.43
Rot. Bonds2

About (5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone

(5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 82481714) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID82481714
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name(5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCOc1ccc(F)cc1C(=O)N1CCC(O)CC1
InChIInChI=1S/C13H16FNO3/c1-18-12-3-2-9(14)8-11(12)13(17)15-6-4-10(16)5-7-15/h2-3,8,10,16H,4-7H2,1H3
InChIKeyOUAVUMWKAKIAKA-UHFFFAOYSA-N
XLogP1.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-2-methoxyphenyl)-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 56909608
cyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110803736
ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761172
(5-fluoro-2-methoxyphenyl)-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
CID 90648087
[1-(5-fluoro-2-methoxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38492080
cyclopentyl-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807483
(5-fluoro-2-methoxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023665
[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 110802471
(2,5-dimethylphenyl)-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110814877
[4-(3-aminopropoxy)piperidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone;hydrochloride
CID 119664484
(5-fluoro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493446
(5-fluoro-2-methoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119542164

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone (CID 82481714) is (5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone is COc1ccc(F)cc1C(=O)N1CCC(O)CC1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is OUAVUMWKAKIAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-18-12-3-2-9(14)8-11(12)13(17)15-6-4-10(16)5-7-15/h2-3,8,10,16H,4-7H2,1H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone?
(5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 253.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 82481714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).