(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine

C22H23F2N3O — CID 28667611

IUPAC(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESCOc1ccc(F)c(CN2CCC[C@H](c3[nH]ncc3-c3cccc(F)c3)C2)c1
InChIInChI=1S/C22H23F2N3O/c1-28-19-7-8-21(24)17(11-19)14-27-9-3-5-16(13-27)22-20(12-25-26-22)15-4-2-6-18(23)10-15/h2,4,6-8,10-12,16H,3,5,9,13-14H2,1H3,(H,25,26)/t16-/m0/s1
InChIKeyWUCFNSJDWKSVDI-INIZCTEOSA-N
MW383.44 g/mol
LogP4.74
Rot. Bonds5

About (3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine

(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 28667611) has the molecular formula C22H23F2N3O and a molecular weight of 383.44 g/mol. Its IUPAC name is (3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID28667611
Molecular FormulaC22H23F2N3O
Molecular Weight383.44 g/mol
Exact Mass383.18
IUPAC Name(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESCOc1ccc(F)c(CN2CCC[C@H](c3[nH]ncc3-c3cccc(F)c3)C2)c1
InChIInChI=1S/C22H23F2N3O/c1-28-19-7-8-21(24)17(11-19)14-27-9-3-5-16(13-27)22-20(12-25-26-22)15-4-2-6-18(23)10-15/h2,4,6-8,10-12,16H,3,5,9,13-14H2,1H3,(H,25,26)/t16-/m0/s1
InChIKeyWUCFNSJDWKSVDI-INIZCTEOSA-N
XLogP4.74
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine 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-[[(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methoxyphenol
CID 42482527
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42275447
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26401758
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42479392
1-[(4-ethoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 45167805
(3R)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methoxyphenyl)methyl]piperidine
CID 42479446
3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 45240609
(3S)-1-(2,2-dimethylpropyl)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26346642
(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42273036
4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine
CID 42431676
2-[[3-[4-(2,5-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-6-methoxyphenol
CID 45228936
2-[[(3R)-3-[4-(2,5-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-6-methoxyphenol
CID 42472821

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of (3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine (CID 28667611) is (3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for (3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for (3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine is COc1ccc(F)c(CN2CCC[C@H](c3[nH]ncc3-c3cccc(F)c3)C2)c1.
What is the InChIKey of (3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is WUCFNSJDWKSVDI-INIZCTEOSA-N. The full InChI is InChI=1S/C22H23F2N3O/c1-28-19-7-8-21(24)17(11-19)14-27-9-3-5-16(13-27)22-20(12-25-26-22)15-4-2-6-18(23)10-15/h2,4,6-8,10-12,16H,3,5,9,13-14H2,1H3,(H,25,26)/t16-/m0/s1.
What are the key properties of (3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 383.44 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 28667611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).