4-[[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2,6-dimethylphenol

C24H32FN3O — CID 51636098

IUPAC4-[[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2,6-dimethylphenol
SMILESCc1cc(CN2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cc(C)c1O
InChIInChI=1S/C24H32FN3O/c1-18-14-20(15-19(2)24(18)29)16-26-9-5-6-21(17-26)27-10-12-28(13-11-27)23-8-4-3-7-22(23)25/h3-4,7-8,14-15,21,29H,5-6,9-13,16-17H2,1-2H3/t21-/m1/s1
InChIKeyZXWIQGYJOOBAPC-OAQYLSRUSA-N
MW397.54 g/mol
LogP3.93
Rot. Bonds4

About 4-[[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2,6-dimethylphenol

4-[[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2,6-dimethylphenol (PubChem CID 51636098) has the molecular formula C24H32FN3O and a molecular weight of 397.54 g/mol. Its IUPAC name is 4-[[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2,6-dimethylphenol
PubChem CID51636098
Molecular FormulaC24H32FN3O
Molecular Weight397.54 g/mol
Exact Mass397.25
IUPAC Name4-[[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2,6-dimethylphenol
SMILESCc1cc(CN2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cc(C)c1O
InChIInChI=1S/C24H32FN3O/c1-18-14-20(15-19(2)24(18)29)16-26-9-5-6-21(17-26)27-10-12-28(13-11-27)23-8-4-3-7-22(23)25/h3-4,7-8,14-15,21,29H,5-6,9-13,16-17H2,1-2H3/t21-/m1/s1
InChIKeyZXWIQGYJOOBAPC-OAQYLSRUSA-N
XLogP3.93
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2,6-dimethylphenol with MolForge

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Related Compounds

1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-4-(2-fluorophenyl)piperazine
CID 45199577
1-(2-fluorophenyl)-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]piperazine
CID 51635907
1-(2-fluorophenyl)-4-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]piperazine
CID 92689876
2-[[(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole
CID 31048886
2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine
CID 45206430
2-[3-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenoxy]ethanol
CID 45249761
1-cyclohexyl-4-(2-fluorophenyl)piperazine;propane
CID 143719363
[2-ethoxy-5-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]methanol
CID 45233381
2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole
CID 56718757
N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]acetamide
CID 56890289
1-(2-methylphenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
CID 45199090
2-[(2-fluorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49234263

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2,6-dimethylphenol (CID 51636098) is 4-[[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2,6-dimethylphenol is Cc1cc(CN2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cc(C)c1O.
What is the InChIKey of 4-[[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2,6-dimethylphenol?
The InChIKey is ZXWIQGYJOOBAPC-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H32FN3O/c1-18-14-20(15-19(2)24(18)29)16-26-9-5-6-21(17-26)27-10-12-28(13-11-27)23-8-4-3-7-22(23)25/h3-4,7-8,14-15,21,29H,5-6,9-13,16-17H2,1-2H3/t21-/m1/s1.
What are the key properties of 4-[[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2,6-dimethylphenol?
4-[[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2,6-dimethylphenol has a molecular weight of 397.54 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2,6-dimethylphenol is sourced from PubChem (CID 51636098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).