2-[[(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methoxyphenol

C22H24FN3O2 — CID 42482527

IUPAC2-[[(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CN2CCC[C@@H](c3[nH]ncc3-c3cccc(F)c3)C2)c1
InChIInChI=1S/C22H24FN3O2/c1-28-19-7-8-21(27)17(11-19)14-26-9-3-5-16(13-26)22-20(12-24-25-22)15-4-2-6-18(23)10-15/h2,4,6-8,10-12,16,27H,3,5,9,13-14H2,1H3,(H,24,25)/t16-/m1/s1
InChIKeyLNZKLONKWLETRM-MRXNPFEDSA-N
MW381.45 g/mol
LogP4.31
Rot. Bonds5

About 2-[[(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methoxyphenol

2-[[(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methoxyphenol (PubChem CID 42482527) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-[[(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methoxyphenol
PubChem CID42482527
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name2-[[(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CN2CCC[C@@H](c3[nH]ncc3-c3cccc(F)c3)C2)c1
InChIInChI=1S/C22H24FN3O2/c1-28-19-7-8-21(27)17(11-19)14-26-9-3-5-16(13-26)22-20(12-24-25-22)15-4-2-6-18(23)10-15/h2,4,6-8,10-12,16,27H,3,5,9,13-14H2,1H3,(H,24,25)/t16-/m1/s1
InChIKeyLNZKLONKWLETRM-MRXNPFEDSA-N
XLogP4.31
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 28667611
(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
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
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
(3R)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methoxyphenyl)methyl]piperidine
CID 42479446
4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine
CID 42431676

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methoxyphenol?
The IUPAC name of 2-[[(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methoxyphenol (CID 42482527) is 2-[[(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[[(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methoxyphenol is COc1ccc(O)c(CN2CCC[C@@H](c3[nH]ncc3-c3cccc(F)c3)C2)c1.
What is the InChIKey of 2-[[(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methoxyphenol?
The InChIKey is LNZKLONKWLETRM-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-28-19-7-8-21(27)17(11-19)14-26-9-3-5-16(13-26)22-20(12-24-25-22)15-4-2-6-18(23)10-15/h2,4,6-8,10-12,16,27H,3,5,9,13-14H2,1H3,(H,24,25)/t16-/m1/s1.
What are the key properties of 2-[[(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methoxyphenol?
2-[[(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methoxyphenol has a molecular weight of 381.45 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methoxyphenol is sourced from PubChem (CID 42482527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).