(4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone

C20H22FNO3 — CID 155990838

IUPAC(4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone
SMILESCOC1(COc2ccccc2)CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H22FNO3/c1-24-20(15-25-18-6-3-2-4-7-18)12-5-13-22(14-20)19(23)16-8-10-17(21)11-9-16/h2-4,6-11H,5,12-15H2,1H3
InChIKeyOMRHCJORIKYQGL-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.53
Rot. Bonds5

About (4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone

(4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone (PubChem CID 155990838) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone
PubChem CID155990838
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name(4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone
SMILESCOC1(COc2ccccc2)CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H22FNO3/c1-24-20(15-25-18-6-3-2-4-7-18)12-5-13-22(14-20)19(23)16-8-10-17(21)11-9-16/h2-4,6-11H,5,12-15H2,1H3
InChIKeyOMRHCJORIKYQGL-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 155990933
[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 155992013
2-amino-1-[3-[(4-fluorophenoxy)methyl]-3-methoxypiperidin-1-yl]ethanone;hydrochloride
CID 171687664
6-[(3S)-3-methoxy-3-(phenoxymethyl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 124980363
[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 132776924
[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 132764523
[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(5-methyl-2-pyridinyl)methanone
CID 132764637
[3-methoxy-3-(phenoxymethyl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 132776385
3-[[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 132777552
2-[(3R)-1-(4-methylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide
CID 125024237
(3,5-difluorophenyl)-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]methanone
CID 155991718
[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 132764030

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone (CID 155990838) is (4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone is COC1(COc2ccccc2)CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone?
The InChIKey is OMRHCJORIKYQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-24-20(15-25-18-6-3-2-4-7-18)12-5-13-22(14-20)19(23)16-8-10-17(21)11-9-16/h2-4,6-11H,5,12-15H2,1H3.
What are the key properties of (4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone?
(4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone has a molecular weight of 343.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 155990838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).