1-benzhydryloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

C25H29N3O2 — CID 3468585

IUPAC1-benzhydryloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
SMILESOC(COC(c1ccccc1)c1ccccc1)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H29N3O2/c29-23(19-27-15-17-28(18-16-27)24-13-7-8-14-26-24)20-30-25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,25,29H,15-20H2
InChIKeyIEGXBGGRCBAVOS-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.37
Rot. Bonds8

About 1-benzhydryloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

1-benzhydryloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol (PubChem CID 3468585) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 1-benzhydryloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-benzhydryloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
PubChem CID3468585
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name1-benzhydryloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
SMILESOC(COC(c1ccccc1)c1ccccc1)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H29N3O2/c29-23(19-27-15-17-28(18-16-27)24-13-7-8-14-26-24)20-30-25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,25,29H,15-20H2
InChIKeyIEGXBGGRCBAVOS-UHFFFAOYSA-N
XLogP3.37
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-benzhydryloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol (CID 3468585) is 1-benzhydryloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-benzhydryloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-benzhydryloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is OC(COC(c1ccccc1)c1ccccc1)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-benzhydryloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The InChIKey is IEGXBGGRCBAVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c29-23(19-27-15-17-28(18-16-27)24-13-7-8-14-26-24)20-30-25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,25,29H,15-20H2.
What are the key properties of 1-benzhydryloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
1-benzhydryloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol has a molecular weight of 403.53 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 3468585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).