(4-fluorophenyl)-[3-(4-methoxyphenyl)-4-methylpiperidin-1-yl]methanone

C20H22FNO2 — CID 153340115

IUPAC(4-fluorophenyl)-[3-(4-methoxyphenyl)-4-methylpiperidin-1-yl]methanone
SMILESCOc1ccc(C2CN(C(=O)c3ccc(F)cc3)CCC2C)cc1
InChIInChI=1S/C20H22FNO2/c1-14-11-12-22(20(23)16-3-7-17(21)8-4-16)13-19(14)15-5-9-18(24-2)10-6-15/h3-10,14,19H,11-13H2,1-2H3
InChIKeyCDDBQGUPAYBTLA-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.10
Rot. Bonds3

About (4-fluorophenyl)-[3-(4-methoxyphenyl)-4-methylpiperidin-1-yl]methanone

(4-fluorophenyl)-[3-(4-methoxyphenyl)-4-methylpiperidin-1-yl]methanone (PubChem CID 153340115) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(4-methoxyphenyl)-4-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(4-methoxyphenyl)-4-methylpiperidin-1-yl]methanone
PubChem CID153340115
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name(4-fluorophenyl)-[3-(4-methoxyphenyl)-4-methylpiperidin-1-yl]methanone
SMILESCOc1ccc(C2CN(C(=O)c3ccc(F)cc3)CCC2C)cc1
InChIInChI=1S/C20H22FNO2/c1-14-11-12-22(20(23)16-3-7-17(21)8-4-16)13-19(14)15-5-9-18(24-2)10-6-15/h3-10,14,19H,11-13H2,1-2H3
InChIKeyCDDBQGUPAYBTLA-UHFFFAOYSA-N
XLogP4.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-(4-fluorophenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide
CID 42827099
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
N,N-diethyl-1-(4-fluorobenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42680299
[(3S,4S)-1-(4-fluorobenzoyl)-4-methylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone
CID 69458522
[(3R,4R)-1-(4-fluorobenzoyl)-4-methylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone
CID 11416561
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
(4-fluorophenyl)-[(3R,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 124796757
[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 170231670
(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852
(4-methoxyphenyl)-[3-(4-methoxyphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 42862684
[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 100671019
[3-(4-fluorophenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-(4-methoxyphenyl)methanone
CID 71448329

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-(4-methoxyphenyl)-4-methylpiperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-(4-methoxyphenyl)-4-methylpiperidin-1-yl]methanone (CID 153340115) is (4-fluorophenyl)-[3-(4-methoxyphenyl)-4-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-(4-methoxyphenyl)-4-methylpiperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-(4-methoxyphenyl)-4-methylpiperidin-1-yl]methanone is COc1ccc(C2CN(C(=O)c3ccc(F)cc3)CCC2C)cc1.
What is the InChIKey of (4-fluorophenyl)-[3-(4-methoxyphenyl)-4-methylpiperidin-1-yl]methanone?
The InChIKey is CDDBQGUPAYBTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-14-11-12-22(20(23)16-3-7-17(21)8-4-16)13-19(14)15-5-9-18(24-2)10-6-15/h3-10,14,19H,11-13H2,1-2H3.
What are the key properties of (4-fluorophenyl)-[3-(4-methoxyphenyl)-4-methylpiperidin-1-yl]methanone?
(4-fluorophenyl)-[3-(4-methoxyphenyl)-4-methylpiperidin-1-yl]methanone has a molecular weight of 327.40 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(4-methoxyphenyl)-4-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 153340115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).