(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone

C22H26FNO3 — CID 10595416

IUPAC(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone
SMILESCOc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
InChIInChI=1S/C22H26FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17H,10-15H2,1-2H3
InChIKeyALTAMTJSSZBUFX-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.98
Rot. Bonds7

About (2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone

(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone (PubChem CID 10595416) has the molecular formula C22H26FNO3 and a molecular weight of 371.45 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone
PubChem CID10595416
Molecular FormulaC22H26FNO3
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone
SMILESCOc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
InChIInChI=1S/C22H26FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17H,10-15H2,1-2H3
InChIKeyALTAMTJSSZBUFX-UHFFFAOYSA-N
XLogP3.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-Dimethoxy-N-(1-(4-fluorobenzyl)piperidin-4-yl)benzamide
CID 134002
1-[4-[3-[4-[Bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 3082675
1-[4-[3-[4-[Bis(3-fluorophenyl)methyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 10100719
2-[[1-[(3-Fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 10200831
1-(3,4-Dimethoxy-phenyl)-7-[ethyl-(2-methoxy-benzyl)-amino]-heptan-1-one
CID 10387052
1-(3,4-Dimethoxy-phenyl)-6-[ethyl-(2-methoxy-benzyl)-amino]-hexan-1-one
CID 10408648
1-[4-(3-{4-[Bis(4-fluorophenyl)methylidene]piperidin-1-yl}propoxy)-3-methoxyphenyl]ethan-1-one
CID 14407074
1-[4-[2-[4-[Bis(4-fluorophenyl)methyl]-1-piperidinyl]ethoxy]-3-methoxyphenyl]ethanone
CID 14407125
1-[4-[4-[4-[Bis(4-fluorophenyl)methyl]piperidin-1-yl]butoxy]-3-methoxyphenyl]ethanone
CID 14407128
1-[4-[3-[4-[(4-Fluorophenyl)-phenylmethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 14407149
6-[6-(4-Methyl-piperidin-1-yl)-hexyloxy]-2-phenyl-chromen-4-one
CID 14982968
1-[4-[3-[4-[(3,4-Difluorophenyl)-(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 15093860

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone (CID 10595416) is (2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone is COc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone?
The InChIKey is ALTAMTJSSZBUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17H,10-15H2,1-2H3.
What are the key properties of (2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone?
(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone has a molecular weight of 371.45 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone is sourced from PubChem (CID 10595416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).