(R)-[3-fluoro-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol

C23H23F2N3O — CID 95801530

IUPAC(R)-[3-fluoro-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol
SMILESO[C@H](c1cccnc1)c1cccc(F)c1N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C23H23F2N3O/c24-20-8-2-1-5-18(20)16-27-11-13-28(14-12-27)22-19(7-3-9-21(22)25)23(29)17-6-4-10-26-15-17/h1-10,15,23,29H,11-14,16H2/t23-/m1/s1
InChIKeyMYBPKDFURXOIRK-HSZRJFAPSA-N
MW395.45 g/mol
LogP3.76
Rot. Bonds5

About (R)-[3-fluoro-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol

(R)-[3-fluoro-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol (PubChem CID 95801530) has the molecular formula C23H23F2N3O and a molecular weight of 395.45 g/mol. Its IUPAC name is (R)-[3-fluoro-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(R)-[3-fluoro-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol
PubChem CID95801530
Molecular FormulaC23H23F2N3O
Molecular Weight395.45 g/mol
Exact Mass395.18
IUPAC Name(R)-[3-fluoro-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol
SMILESO[C@H](c1cccnc1)c1cccc(F)c1N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C23H23F2N3O/c24-20-8-2-1-5-18(20)16-27-11-13-28(14-12-27)22-19(7-3-9-21(22)25)23(29)17-6-4-10-26-15-17/h1-10,15,23,29H,11-14,16H2/t23-/m1/s1
InChIKeyMYBPKDFURXOIRK-HSZRJFAPSA-N
XLogP3.76
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-[3-fluoro-2-[4-[(2-prop-2-ynoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol
CID 95801537
[3-fluoro-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol
CID 110220819
(S)-[3-fluoro-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol
CID 95801570
[2-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
CID 110220784
2-(2-fluorophenyl)-1-pyridin-3-ylethanol
CID 60797488
4-chloro-2-[[4-[2-fluoro-6-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol
CID 92567310
[2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
CID 110220782
(S)-[3-fluoro-2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 95801488
(R)-(2-fluoro-3-pyridinyl)-pyridin-3-ylmethanol
CID 86334771
[2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol
CID 110220769
[3-fluoro-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 110220751
(S)-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol
CID 92593823

Frequently Asked Questions

What is the IUPAC name of (R)-[3-fluoro-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol?
The IUPAC name of (R)-[3-fluoro-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol (CID 95801530) is (R)-[3-fluoro-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol.
What is the SMILES notation for (R)-[3-fluoro-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol?
The canonical SMILES for (R)-[3-fluoro-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol is O[C@H](c1cccnc1)c1cccc(F)c1N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of (R)-[3-fluoro-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol?
The InChIKey is MYBPKDFURXOIRK-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H23F2N3O/c24-20-8-2-1-5-18(20)16-27-11-13-28(14-12-27)22-19(7-3-9-21(22)25)23(29)17-6-4-10-26-15-17/h1-10,15,23,29H,11-14,16H2/t23-/m1/s1.
What are the key properties of (R)-[3-fluoro-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol?
(R)-[3-fluoro-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol has a molecular weight of 395.45 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[3-fluoro-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol is sourced from PubChem (CID 95801530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).