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

C24H26FN3O — CID 95801570

IUPAC(S)-[3-fluoro-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol
SMILESCc1ccccc1CN1CCN(c2c(F)cccc2[C@H](O)c2ccccn2)CC1
InChIInChI=1S/C24H26FN3O/c1-18-7-2-3-8-19(18)17-27-13-15-28(16-14-27)23-20(9-6-10-21(23)25)24(29)22-11-4-5-12-26-22/h2-12,24,29H,13-17H2,1H3/t24-/m0/s1
InChIKeyKFNCZCUGSSLLHR-DEOSSOPVSA-N
MW391.49 g/mol
LogP3.93
Rot. Bonds5

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

(S)-[3-fluoro-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol (PubChem CID 95801570) has the molecular formula C24H26FN3O and a molecular weight of 391.49 g/mol. Its IUPAC name is (S)-[3-fluoro-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name(S)-[3-fluoro-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol
PubChem CID95801570
Molecular FormulaC24H26FN3O
Molecular Weight391.49 g/mol
Exact Mass391.21
IUPAC Name(S)-[3-fluoro-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol
SMILESCc1ccccc1CN1CCN(c2c(F)cccc2[C@H](O)c2ccccn2)CC1
InChIInChI=1S/C24H26FN3O/c1-18-7-2-3-8-19(18)17-27-13-15-28(16-14-27)23-20(9-6-10-21(23)25)24(29)22-11-4-5-12-26-22/h2-12,24,29H,13-17H2,1H3/t24-/m0/s1
InChIKeyKFNCZCUGSSLLHR-DEOSSOPVSA-N
XLogP3.93
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
CID 110220784
(R)-[3-fluoro-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol
CID 95801530
[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
(S)-[3-fluoro-2-[4-[(2-prop-2-ynoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol
CID 95801537
4-chloro-2-[[4-[2-fluoro-6-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol
CID 92567310
[3-fluoro-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 110220751
(R)-[2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
CID 92567317
[2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol
CID 110220769
(S)-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol
CID 92593823
1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine
CID 90508069
(R)-(2-ethylphenyl)-pyridin-2-ylmethanol
CID 97292895

Frequently Asked Questions

What is the IUPAC name of (S)-[3-fluoro-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol?
The IUPAC name of (S)-[3-fluoro-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol (CID 95801570) is (S)-[3-fluoro-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol.
What is the SMILES notation for (S)-[3-fluoro-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol?
The canonical SMILES for (S)-[3-fluoro-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol is Cc1ccccc1CN1CCN(c2c(F)cccc2[C@H](O)c2ccccn2)CC1.
What is the InChIKey of (S)-[3-fluoro-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol?
The InChIKey is KFNCZCUGSSLLHR-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H26FN3O/c1-18-7-2-3-8-19(18)17-27-13-15-28(16-14-27)23-20(9-6-10-21(23)25)24(29)22-11-4-5-12-26-22/h2-12,24,29H,13-17H2,1H3/t24-/m0/s1.
What are the key properties of (S)-[3-fluoro-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol?
(S)-[3-fluoro-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol has a molecular weight of 391.49 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[3-fluoro-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol is sourced from PubChem (CID 95801570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).