(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methoxyphenyl)methyl]piperidine

C22H23F2N3O — CID 42210375

IUPAC(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methoxyphenyl)methyl]piperidine
SMILESCOc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3c(F)cccc3F)C2)cc1
InChIInChI=1S/C22H23F2N3O/c1-28-17-9-7-15(8-10-17)13-27-11-3-4-16(14-27)22-18(12-25-26-22)21-19(23)5-2-6-20(21)24/h2,5-10,12,16H,3-4,11,13-14H2,1H3,(H,25,26)/t16-/m1/s1
InChIKeyNOGOREVPLIDFCL-MRXNPFEDSA-N
MW383.44 g/mol
LogP4.74
Rot. Bonds5

About (3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methoxyphenyl)methyl]piperidine

(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methoxyphenyl)methyl]piperidine (PubChem CID 42210375) has the molecular formula C22H23F2N3O and a molecular weight of 383.44 g/mol. Its IUPAC name is (3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methoxyphenyl)methyl]piperidine
PubChem CID42210375
Molecular FormulaC22H23F2N3O
Molecular Weight383.44 g/mol
Exact Mass383.18
IUPAC Name(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methoxyphenyl)methyl]piperidine
SMILESCOc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3c(F)cccc3F)C2)cc1
InChIInChI=1S/C22H23F2N3O/c1-28-17-9-7-15(8-10-17)13-27-11-3-4-16(14-27)22-18(12-25-26-22)21-19(23)5-2-6-20(21)24/h2,5-10,12,16H,3-4,11,13-14H2,1H3,(H,25,26)/t16-/m1/s1
InChIKeyNOGOREVPLIDFCL-MRXNPFEDSA-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 (3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methoxyphenyl)methyl]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

3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-ethoxyphenyl)methyl]piperidine
CID 45194059
3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 45240609
(3R)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 95844793
3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(2-fluorophenyl)methyl]piperidine
CID 45218502
(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-[(5-ethylfuran-2-yl)methyl]piperidine
CID 45211230
1-[(2,4-difluorophenyl)methyl]-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 45234631
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 28667611
1-[(4-ethoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 45167805
(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methylphenyl)methyl]piperidine
CID 42479334
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26401758
(3S)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 28738720

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methoxyphenyl)methyl]piperidine?
The IUPAC name of (3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methoxyphenyl)methyl]piperidine (CID 42210375) is (3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for (3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methoxyphenyl)methyl]piperidine?
The canonical SMILES for (3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methoxyphenyl)methyl]piperidine is COc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3c(F)cccc3F)C2)cc1.
What is the InChIKey of (3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methoxyphenyl)methyl]piperidine?
The InChIKey is NOGOREVPLIDFCL-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23F2N3O/c1-28-17-9-7-15(8-10-17)13-27-11-3-4-16(14-27)22-18(12-25-26-22)21-19(23)5-2-6-20(21)24/h2,5-10,12,16H,3-4,11,13-14H2,1H3,(H,25,26)/t16-/m1/s1.
What are the key properties of (3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methoxyphenyl)methyl]piperidine?
(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methoxyphenyl)methyl]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 (3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 42210375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).