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

C20H22FNO3 — CID 84594202

IUPAC(4-fluorophenyl)-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methanone
SMILESCOc1ccccc1COC1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FNO3/c1-24-19-5-3-2-4-16(19)14-25-18-10-12-22(13-11-18)20(23)15-6-8-17(21)9-7-15/h2-9,18H,10-14H2,1H3
InChIKeyBKOFIRTZJSSGRQ-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.66
Rot. Bonds5

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

(4-fluorophenyl)-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methanone (PubChem CID 84594202) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methanone
PubChem CID84594202
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name(4-fluorophenyl)-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methanone
SMILESCOc1ccccc1COC1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FNO3/c1-24-19-5-3-2-4-16(19)14-25-18-10-12-22(13-11-18)20(23)15-6-8-17(21)9-7-15/h2-9,18H,10-14H2,1H3
InChIKeyBKOFIRTZJSSGRQ-UHFFFAOYSA-N
XLogP3.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]benzoic acid
CID 120551630
[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-[(2R,3S)-2-methyloxan-3-yl]methanone
CID 129400330
[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-[(2S,3S)-2-methyloxan-3-yl]methanone
CID 129400331
4-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674625
3-amino-1-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]butan-1-one
CID 120873928
[4-(2-bromoethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 82701843
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
N-[(1R)-1-cyclobutylethyl]-4-[(2-methoxyphenyl)methoxy]piperidine-1-carboxamide
CID 97160902
N-(1-cyclobutylethyl)-4-[(2-methoxyphenyl)methoxy]piperidine-1-carboxamide
CID 84593996
2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 11912308
(4-fluorophenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916416
(4-methoxy-3-prop-2-enylphenyl)-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 91781151

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methanone (CID 84594202) is (4-fluorophenyl)-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methanone is COc1ccccc1COC1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methanone?
The InChIKey is BKOFIRTZJSSGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-24-19-5-3-2-4-16(19)14-25-18-10-12-22(13-11-18)20(23)15-6-8-17(21)9-7-15/h2-9,18H,10-14H2,1H3.
What are the key properties of (4-fluorophenyl)-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methanone?
(4-fluorophenyl)-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methanone has a molecular weight of 343.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 84594202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).