(4-fluorophenyl)-[1-[2-methoxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methanone

C22H26FNO2 — CID 23515444

IUPAC(4-fluorophenyl)-[1-[2-methoxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methanone
SMILESCOC(CN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(C)cc1
InChIInChI=1S/C22H26FNO2/c1-16-3-5-17(6-4-16)21(26-2)15-24-13-11-19(12-14-24)22(25)18-7-9-20(23)10-8-18/h3-10,19,21H,11-15H2,1-2H3
InChIKeyGULJMRVQKUSDIM-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.42
Rot. Bonds6

About (4-fluorophenyl)-[1-[2-methoxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methanone

(4-fluorophenyl)-[1-[2-methoxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methanone (PubChem CID 23515444) has the molecular formula C22H26FNO2 and a molecular weight of 355.45 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[2-methoxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[2-methoxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methanone
PubChem CID23515444
Molecular FormulaC22H26FNO2
Molecular Weight355.45 g/mol
Exact Mass355.19
IUPAC Name(4-fluorophenyl)-[1-[2-methoxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methanone
SMILESCOC(CN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(C)cc1
InChIInChI=1S/C22H26FNO2/c1-16-3-5-17(6-4-16)21(26-2)15-24-13-11-19(12-14-24)22(25)18-7-9-20(23)10-8-18/h3-10,19,21H,11-15H2,1-2H3
InChIKeyGULJMRVQKUSDIM-UHFFFAOYSA-N
XLogP4.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(4-chlorophenyl)-2-methoxyethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 23503572
[1-(4-ethylphenyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl] methyl carbonate;(4-fluorophenyl)-piperidin-4-ylmethanone
CID 160879355
(3,4-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
CID 19811877
(4-fluorophenyl)-[1-[2-methoxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanone
CID 91362838
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 55913303
[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 78903776
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
(4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438182
2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetonitrile
CID 3020042
[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 87022270
(4-fluorophenyl)-[1-[2-(4-propan-2-ylphenyl)-2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanone;trihydrochloride
CID 23503581

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[2-methoxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[2-methoxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methanone (CID 23515444) is (4-fluorophenyl)-[1-[2-methoxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[2-methoxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[2-methoxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methanone is COC(CN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(C)cc1.
What is the InChIKey of (4-fluorophenyl)-[1-[2-methoxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methanone?
The InChIKey is GULJMRVQKUSDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO2/c1-16-3-5-17(6-4-16)21(26-2)15-24-13-11-19(12-14-24)22(25)18-7-9-20(23)10-8-18/h3-10,19,21H,11-15H2,1-2H3.
What are the key properties of (4-fluorophenyl)-[1-[2-methoxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[2-methoxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methanone has a molecular weight of 355.45 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[2-methoxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methanone is sourced from PubChem (CID 23515444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).