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

C24H26FN3O2 — CID 110220819

IUPAC[3-fluoro-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol
SMILESCOc1cccc(CN2CCN(c3c(F)cccc3C(O)c3cccnc3)CC2)c1
InChIInChI=1S/C24H26FN3O2/c1-30-20-7-2-5-18(15-20)17-27-11-13-28(14-12-27)23-21(8-3-9-22(23)25)24(29)19-6-4-10-26-16-19/h2-10,15-16,24,29H,11-14,17H2,1H3
InChIKeySJTBEHFDMDRYLY-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.63
Rot. Bonds6

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

[3-fluoro-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol (PubChem CID 110220819) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is [3-fluoro-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[3-fluoro-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol
PubChem CID110220819
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name[3-fluoro-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol
SMILESCOc1cccc(CN2CCN(c3c(F)cccc3C(O)c3cccnc3)CC2)c1
InChIInChI=1S/C24H26FN3O2/c1-30-20-7-2-5-18(15-20)17-27-11-13-28(14-12-27)23-21(8-3-9-22(23)25)24(29)19-6-4-10-26-16-19/h2-10,15-16,24,29H,11-14,17H2,1H3
InChIKeySJTBEHFDMDRYLY-UHFFFAOYSA-N
XLogP3.63
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-[3-fluoro-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol
CID 95801530
[2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol
CID 110220769
(S)-[3-fluoro-2-[4-[(2-prop-2-ynoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol
CID 95801537
1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
CID 17367073
[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
4-[[4-[2-fluoro-6-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]-2-methoxyphenol
CID 46953574
(S)-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol
CID 92593823
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 166149452
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 171151325

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol?
The IUPAC name of [3-fluoro-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol (CID 110220819) is [3-fluoro-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol.
What is the SMILES notation for [3-fluoro-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol?
The canonical SMILES for [3-fluoro-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol is COc1cccc(CN2CCN(c3c(F)cccc3C(O)c3cccnc3)CC2)c1.
What is the InChIKey of [3-fluoro-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol?
The InChIKey is SJTBEHFDMDRYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-30-20-7-2-5-18(15-20)17-27-11-13-28(14-12-27)23-21(8-3-9-22(23)25)24(29)19-6-4-10-26-16-19/h2-10,15-16,24,29H,11-14,17H2,1H3.
What are the key properties of [3-fluoro-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol?
[3-fluoro-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol has a molecular weight of 407.49 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol is sourced from PubChem (CID 110220819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).