3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-dipyridin-2-ylpropan-1-ol

C24H28N4O2 — CID 22482100

IUPAC3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-dipyridin-2-ylpropan-1-ol
SMILESCOc1ccccc1N1CCN(CCC(O)(c2ccccn2)c2ccccn2)CC1
InChIInChI=1S/C24H28N4O2/c1-30-21-9-3-2-8-20(21)28-18-16-27(17-19-28)15-12-24(29,22-10-4-6-13-25-22)23-11-5-7-14-26-23/h2-11,13-14,29H,12,15-19H2,1H3
InChIKeyHVIJAWNCZWZZSN-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.93
Rot. Bonds7

About 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-dipyridin-2-ylpropan-1-ol

3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-dipyridin-2-ylpropan-1-ol (PubChem CID 22482100) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-dipyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-dipyridin-2-ylpropan-1-ol
PubChem CID22482100
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-dipyridin-2-ylpropan-1-ol
SMILESCOc1ccccc1N1CCN(CCC(O)(c2ccccn2)c2ccccn2)CC1
InChIInChI=1S/C24H28N4O2/c1-30-21-9-3-2-8-20(21)28-18-16-27(17-19-28)15-12-24(29,22-10-4-6-13-25-22)23-11-5-7-14-26-23/h2-11,13-14,29H,12,15-19H2,1H3
InChIKeyHVIJAWNCZWZZSN-UHFFFAOYSA-N
XLogP2.93
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 64819623
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 10018417
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
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1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
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1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine
CID 172860872
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-di(thiophen-3-yl)butan-1-ol
CID 110181822
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine
CID 31338508
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-2-ylethanamine
CID 56986560
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropane-1,2-diol
CID 166286980

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-dipyridin-2-ylpropan-1-ol?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-dipyridin-2-ylpropan-1-ol (CID 22482100) is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-dipyridin-2-ylpropan-1-ol.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-dipyridin-2-ylpropan-1-ol?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-dipyridin-2-ylpropan-1-ol is COc1ccccc1N1CCN(CCC(O)(c2ccccn2)c2ccccn2)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-dipyridin-2-ylpropan-1-ol?
The InChIKey is HVIJAWNCZWZZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-30-21-9-3-2-8-20(21)28-18-16-27(17-19-28)15-12-24(29,22-10-4-6-13-25-22)23-11-5-7-14-26-23/h2-11,13-14,29H,12,15-19H2,1H3.
What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-dipyridin-2-ylpropan-1-ol?
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-dipyridin-2-ylpropan-1-ol has a molecular weight of 404.51 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-dipyridin-2-ylpropan-1-ol is sourced from PubChem (CID 22482100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).