(2-fluoro-6-methoxyphenyl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone

C18H26FNO3 — CID 70720752

IUPAC(2-fluoro-6-methoxyphenyl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone
SMILESCOc1cccc(F)c1C(=O)N1CCC(C(O)CC(C)C)CC1
InChIInChI=1S/C18H26FNO3/c1-12(2)11-15(21)13-7-9-20(10-8-13)18(22)17-14(19)5-4-6-16(17)23-3/h4-6,12-13,15,21H,7-11H2,1-3H3
InChIKeyTXURMFCUXHLYLK-UHFFFAOYSA-N
MW323.41 g/mol
LogP3.09
Rot. Bonds5

About (2-fluoro-6-methoxyphenyl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone

(2-fluoro-6-methoxyphenyl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone (PubChem CID 70720752) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is (2-fluoro-6-methoxyphenyl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-6-methoxyphenyl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone
PubChem CID70720752
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Name(2-fluoro-6-methoxyphenyl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone
SMILESCOc1cccc(F)c1C(=O)N1CCC(C(O)CC(C)C)CC1
InChIInChI=1S/C18H26FNO3/c1-12(2)11-15(21)13-7-9-20(10-8-13)18(22)17-14(19)5-4-6-16(17)23-3/h4-6,12-13,15,21H,7-11H2,1-3H3
InChIKeyTXURMFCUXHLYLK-UHFFFAOYSA-N
XLogP3.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 65433856
(4-bromopiperidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone
CID 80662755
1-(2-fluoro-6-methoxybenzoyl)piperidine-4-carboxylic acid
CID 65432243
[4-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 65435015
(2-fluoro-6-methoxyphenyl)-morpholin-4-ylmethanone
CID 65432492
[(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride
CID 119934296
(3-aminopyrrolidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride
CID 119482707
(2-fluoro-6-methoxyphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102784891
1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 70748094
2-[4-(2-fluoro-6-methoxybenzoyl)piperazin-1-yl]acetic acid
CID 65434176
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-fluoro-6-methoxyphenyl)methanone
CID 81483168
(2-fluoro-6-methoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999724

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-methoxyphenyl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone?
The IUPAC name of (2-fluoro-6-methoxyphenyl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone (CID 70720752) is (2-fluoro-6-methoxyphenyl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-6-methoxyphenyl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-fluoro-6-methoxyphenyl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone is COc1cccc(F)c1C(=O)N1CCC(C(O)CC(C)C)CC1.
What is the InChIKey of (2-fluoro-6-methoxyphenyl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone?
The InChIKey is TXURMFCUXHLYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO3/c1-12(2)11-15(21)13-7-9-20(10-8-13)18(22)17-14(19)5-4-6-16(17)23-3/h4-6,12-13,15,21H,7-11H2,1-3H3.
What are the key properties of (2-fluoro-6-methoxyphenyl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone?
(2-fluoro-6-methoxyphenyl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone has a molecular weight of 323.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-methoxyphenyl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70720752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).