[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]-(3-fluorophenyl)methanone

C22H26FNO4 — CID 71784802

IUPAC[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]-(3-fluorophenyl)methanone
SMILESCOc1cc(COCC2CCN(C(=O)c3cccc(F)c3)CC2)cc(OC)c1
InChIInChI=1S/C22H26FNO4/c1-26-20-10-17(11-21(13-20)27-2)15-28-14-16-6-8-24(9-7-16)22(25)18-4-3-5-19(23)12-18/h3-5,10-13,16H,6-9,14-15H2,1-2H3
InChIKeyOLPXGFBDSPYOFU-UHFFFAOYSA-N
MW387.45 g/mol
LogP3.91
Rot. Bonds7

About [4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]-(3-fluorophenyl)methanone

[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 71784802) has the molecular formula C22H26FNO4 and a molecular weight of 387.45 g/mol. Its IUPAC name is [4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]-(3-fluorophenyl)methanone
PubChem CID71784802
Molecular FormulaC22H26FNO4
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]-(3-fluorophenyl)methanone
SMILESCOc1cc(COCC2CCN(C(=O)c3cccc(F)c3)CC2)cc(OC)c1
InChIInChI=1S/C22H26FNO4/c1-26-20-10-17(11-21(13-20)27-2)15-28-14-16-6-8-24(9-7-16)22(25)18-4-3-5-19(23)12-18/h3-5,10-13,16H,6-9,14-15H2,1-2H3
InChIKeyOLPXGFBDSPYOFU-UHFFFAOYSA-N
XLogP3.91
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 53037993
(3,5-dimethoxyphenyl)-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110411665
(3-fluorophenyl)-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 110412308
[4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 23790808
(3-fluorophenyl)-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088227
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 1126140
[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 71784887
(3-fluorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746310
(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 110869857
3-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439
6-(cyclopropylmethoxy)-4-(3-fluorobenzoyl)-1-[(3-methoxyphenyl)methyl]-1,4-diazepan-2-one
CID 45161350
[4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 3488973

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]-(3-fluorophenyl)methanone (CID 71784802) is [4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]-(3-fluorophenyl)methanone is COc1cc(COCC2CCN(C(=O)c3cccc(F)c3)CC2)cc(OC)c1.
What is the InChIKey of [4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is OLPXGFBDSPYOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO4/c1-26-20-10-17(11-21(13-20)27-2)15-28-14-16-6-8-24(9-7-16)22(25)18-4-3-5-19(23)12-18/h3-5,10-13,16H,6-9,14-15H2,1-2H3.
What are the key properties of [4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]-(3-fluorophenyl)methanone?
[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 387.45 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 71784802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).