3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-pyridin-2-ylpropan-1-ol

C25H29N3O2 — CID 15016113

IUPAC3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-pyridin-2-ylpropan-1-ol
SMILESCOc1ccccc1N1CCN(CC(c2ccccn2)C(O)c2ccccc2)CC1
InChIInChI=1S/C25H29N3O2/c1-30-24-13-6-5-12-23(24)28-17-15-27(16-18-28)19-21(22-11-7-8-14-26-22)25(29)20-9-3-2-4-10-20/h2-14,21,25,29H,15-19H2,1H3
InChIKeyDWBAEUYSRNJYSZ-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.73
Rot. Bonds7

About 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-pyridin-2-ylpropan-1-ol

3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-pyridin-2-ylpropan-1-ol (PubChem CID 15016113) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-pyridin-2-ylpropan-1-ol
PubChem CID15016113
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-pyridin-2-ylpropan-1-ol
SMILESCOc1ccccc1N1CCN(CC(c2ccccn2)C(O)c2ccccc2)CC1
InChIInChI=1S/C25H29N3O2/c1-30-24-13-6-5-12-23(24)28-17-15-27(16-18-28)19-21(22-11-7-8-14-26-22)25(29)20-9-3-2-4-10-20/h2-14,21,25,29H,15-19H2,1H3
InChIKeyDWBAEUYSRNJYSZ-UHFFFAOYSA-N
XLogP3.73
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-2-ylethanamine
CID 56986560
1-(4-cyclohexyl-2-pyridin-2-ylbutyl)-4-(2-methoxyphenyl)piperazine
CID 91151355
(1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 46832946
methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate
CID 19433554
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylethyl]carbamic acid
CID 19433569
(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7070608
3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 18956031
2-[4-(2-methylphenyl)piperazin-1-yl]-1-pyridin-2-ylethanol
CID 20980348
1-(dimethylamino)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 18714192
(2R)-2-fluoro-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 86339195
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 829697
(2R)-1-(2-fluorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1033127

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-pyridin-2-ylpropan-1-ol?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-pyridin-2-ylpropan-1-ol (CID 15016113) is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-pyridin-2-ylpropan-1-ol is COc1ccccc1N1CCN(CC(c2ccccn2)C(O)c2ccccc2)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-pyridin-2-ylpropan-1-ol?
The InChIKey is DWBAEUYSRNJYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-30-24-13-6-5-12-23(24)28-17-15-27(16-18-28)19-21(22-11-7-8-14-26-22)25(29)20-9-3-2-4-10-20/h2-14,21,25,29H,15-19H2,1H3.
What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-pyridin-2-ylpropan-1-ol?
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-pyridin-2-ylpropan-1-ol has a molecular weight of 403.53 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 15016113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).