[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol

C25H29N3O3 — CID 110220840

IUPAC[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol
SMILESCOc1ccc(CN2CCN(c3ccccc3C(O)c3ccccn3)CC2)cc1OC
InChIInChI=1S/C25H29N3O3/c1-30-23-11-10-19(17-24(23)31-2)18-27-13-15-28(16-14-27)22-9-4-3-7-20(22)25(29)21-8-5-6-12-26-21/h3-12,17,25,29H,13-16,18H2,1-2H3
InChIKeyOZOUFAUOVFPUEY-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.50
Rot. Bonds7

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

[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol (PubChem CID 110220840) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is [2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol
PubChem CID110220840
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol
SMILESCOc1ccc(CN2CCN(c3ccccc3C(O)c3ccccn3)CC2)cc1OC
InChIInChI=1S/C25H29N3O3/c1-30-23-11-10-19(17-24(23)31-2)18-27-13-15-28(16-14-27)22-9-4-3-7-20(22)25(29)21-8-5-6-12-26-21/h3-12,17,25,29H,13-16,18H2,1-2H3
InChIKeyOZOUFAUOVFPUEY-UHFFFAOYSA-N
XLogP3.50
TPSA58.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 110220715
[2-[4-[(3-prop-2-ynoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol
CID 110220853
1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
CID 10131909
2-[(3,4-dimethoxyphenyl)methyl]-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]isoindole-1,3-dione
CID 23627894
2-[(3,4-dimethoxyphenyl)methyl]-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]isoindole
CID 174578127
1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 2846107
(2R)-1-[2-methoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
CID 28953775
(S)-(2-methoxy-5-methylphenyl)-pyridin-2-ylmethanol
CID 94605501
(3,4-dimethoxyphenyl)-pyridin-2-ylmethanol
CID 14098122
[2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol
CID 110220734
2-(2-chlorophenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol
CID 12505446
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-2-ylethanamine
CID 56986560

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol?
The IUPAC name of [2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol (CID 110220840) is [2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol.
What is the SMILES notation for [2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol?
The canonical SMILES for [2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol is COc1ccc(CN2CCN(c3ccccc3C(O)c3ccccn3)CC2)cc1OC.
What is the InChIKey of [2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol?
The InChIKey is OZOUFAUOVFPUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-30-23-11-10-19(17-24(23)31-2)18-27-13-15-28(16-14-27)22-9-4-3-7-20(22)25(29)21-8-5-6-12-26-21/h3-12,17,25,29H,13-16,18H2,1-2H3.
What are the key properties of [2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol?
[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol has a molecular weight of 419.53 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol is sourced from PubChem (CID 110220840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).