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

C20H22FNO2 — CID 23723344

IUPAC[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2CCCN(Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C20H22FNO2/c1-24-19-6-2-4-16(12-19)20(23)17-5-3-11-22(14-17)13-15-7-9-18(21)10-8-15/h2,4,6-10,12,17H,3,5,11,13-14H2,1H3
InChIKeyPBQOMWDSAYDUSJ-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.93
Rot. Bonds5

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

[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone (PubChem CID 23723344) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
PubChem CID23723344
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2CCCN(Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C20H22FNO2/c1-24-19-6-2-4-16(12-19)20(23)17-5-3-11-22(14-17)13-15-7-9-18(21)10-8-15/h2,4,6-10,12,17H,3,5,11,13-14H2,1H3
InChIKeyPBQOMWDSAYDUSJ-UHFFFAOYSA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[3-(3-methoxybenzoyl)piperidin-1-yl]methyl]benzoate
CID 45242351
(3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
CID 45218080
[(3S)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 42453819
[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 42095187
[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 42565343
[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45244750
(3-methoxyphenyl)-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 26393620
(3-chlorophenyl)-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42516135
(3-chlorophenyl)-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42516133
N-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43920049
(3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone
CID 82389965
(3-chlorophenyl)-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 23723447

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone (CID 23723344) is [1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)C2CCCN(Cc3ccc(F)cc3)C2)c1.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone?
The InChIKey is PBQOMWDSAYDUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-24-19-6-2-4-16(12-19)20(23)17-5-3-11-22(14-17)13-15-7-9-18(21)10-8-15/h2,4,6-10,12,17H,3,5,11,13-14H2,1H3.
What are the key properties of [1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone?
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone has a molecular weight of 327.40 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 23723344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).