(5-fluoro-2-methoxyphenyl)-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone

C18H25FN2O3 — CID 56909608

IUPAC(5-fluoro-2-methoxyphenyl)-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(F)cc1C(=O)N1CCC(N2CCCC(O)C2)CC1
InChIInChI=1S/C18H25FN2O3/c1-24-17-5-4-13(19)11-16(17)18(23)20-9-6-14(7-10-20)21-8-2-3-15(22)12-21/h4-5,11,14-15,22H,2-3,6-10,12H2,1H3
InChIKeyAUEVGNFVYWOFKL-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.90
Rot. Bonds3

About (5-fluoro-2-methoxyphenyl)-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone

(5-fluoro-2-methoxyphenyl)-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 56909608) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID56909608
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name(5-fluoro-2-methoxyphenyl)-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(F)cc1C(=O)N1CCC(N2CCCC(O)C2)CC1
InChIInChI=1S/C18H25FN2O3/c1-24-17-5-4-13(19)11-16(17)18(23)20-9-6-14(7-10-20)21-8-2-3-15(22)12-21/h4-5,11,14-15,22H,2-3,6-10,12H2,1H3
InChIKeyAUEVGNFVYWOFKL-UHFFFAOYSA-N
XLogP1.90
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82481714
ethyl 4-[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]piperidine-1-carboxylate
CID 25457872
(5-fluoro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493446
cyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110803736
(5-fluoro-2-methoxyphenyl)-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
CID 90648087
(5-fluoro-2-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398683
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
(5-fluoro-2-methoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119542164
1-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110806210
ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761172
[1-(5-fluoro-2-methoxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38492080

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone (CID 56909608) is (5-fluoro-2-methoxyphenyl)-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone is COc1ccc(F)cc1C(=O)N1CCC(N2CCCC(O)C2)CC1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is AUEVGNFVYWOFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-24-17-5-4-13(19)11-16(17)18(23)20-9-6-14(7-10-20)21-8-2-3-15(22)12-21/h4-5,11,14-15,22H,2-3,6-10,12H2,1H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
(5-fluoro-2-methoxyphenyl)-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 336.41 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56909608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).