2-(4-methoxyphenyl)-1-methyl-4-(pyridin-3-ylmethyl)piperazine

C18H23N3O — CID 110098244

IUPAC2-(4-methoxyphenyl)-1-methyl-4-(pyridin-3-ylmethyl)piperazine
SMILESCOc1ccc(C2CN(Cc3cccnc3)CCN2C)cc1
InChIInChI=1S/C18H23N3O/c1-20-10-11-21(13-15-4-3-9-19-12-15)14-18(20)16-5-7-17(22-2)8-6-16/h3-9,12,18H,10-11,13-14H2,1-2H3
InChIKeyMJTHXQMEYPSBAO-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.58
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-methyl-4-(pyridin-3-ylmethyl)piperazine

2-(4-methoxyphenyl)-1-methyl-4-(pyridin-3-ylmethyl)piperazine (PubChem CID 110098244) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-methyl-4-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-methyl-4-(pyridin-3-ylmethyl)piperazine
PubChem CID110098244
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-(4-methoxyphenyl)-1-methyl-4-(pyridin-3-ylmethyl)piperazine
SMILESCOc1ccc(C2CN(Cc3cccnc3)CCN2C)cc1
InChIInChI=1S/C18H23N3O/c1-20-10-11-21(13-15-4-3-9-19-12-15)14-18(20)16-5-7-17(22-2)8-6-16/h3-9,12,18H,10-11,13-14H2,1-2H3
InChIKeyMJTHXQMEYPSBAO-UHFFFAOYSA-N
XLogP2.58
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)piperidin-3-ol
CID 649162
(2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine
CID 124976190
[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 124953934
1-[(3S)-3-(4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 124947507
1-[2-(4-methoxyphenyl)-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperazin-1-yl]ethanone
CID 132772361
(3S,4R)-4-(3-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylic acid
CID 70738871
2-(4-methoxyphenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16895811
1-[2-(4-methoxyphenyl)-4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanone
CID 110109739
1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
CID 17367073
1-[(2R)-2-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 124955238
3-[1-methyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]-6-phenyltriazolo[1,5-a]pyridine
CID 131671067
1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 150931235

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-methyl-4-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 2-(4-methoxyphenyl)-1-methyl-4-(pyridin-3-ylmethyl)piperazine (CID 110098244) is 2-(4-methoxyphenyl)-1-methyl-4-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-methyl-4-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 2-(4-methoxyphenyl)-1-methyl-4-(pyridin-3-ylmethyl)piperazine is COc1ccc(C2CN(Cc3cccnc3)CCN2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-methyl-4-(pyridin-3-ylmethyl)piperazine?
The InChIKey is MJTHXQMEYPSBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-20-10-11-21(13-15-4-3-9-19-12-15)14-18(20)16-5-7-17(22-2)8-6-16/h3-9,12,18H,10-11,13-14H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-methyl-4-(pyridin-3-ylmethyl)piperazine?
2-(4-methoxyphenyl)-1-methyl-4-(pyridin-3-ylmethyl)piperazine has a molecular weight of 297.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-methyl-4-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 110098244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).