1-(4-benzhydrylpiperazin-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol

C25H30N2O3 — CID 2998242

IUPAC1-(4-benzhydrylpiperazin-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
SMILESOC(COCc1ccco1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H30N2O3/c28-23(19-29-20-24-12-7-17-30-24)18-26-13-15-27(16-14-26)25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,17,23,25,28H,13-16,18-20H2
InChIKeyXJARCBWQBOGRIF-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.56
Rot. Bonds9

About 1-(4-benzhydrylpiperazin-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol

1-(4-benzhydrylpiperazin-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 2998242) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-(4-benzhydrylpiperazin-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-benzhydrylpiperazin-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID2998242
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name1-(4-benzhydrylpiperazin-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
SMILESOC(COCc1ccco1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H30N2O3/c28-23(19-29-20-24-12-7-17-30-24)18-26-13-15-27(16-14-26)25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,17,23,25,28H,13-16,18-20H2
InChIKeyXJARCBWQBOGRIF-UHFFFAOYSA-N
XLogP3.56
TPSA49.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-benzhydrylpiperazin-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol (CID 2998242) is 1-(4-benzhydrylpiperazin-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(4-benzhydrylpiperazin-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(4-benzhydrylpiperazin-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol is OC(COCc1ccco1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzhydrylpiperazin-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is XJARCBWQBOGRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c28-23(19-29-20-24-12-7-17-30-24)18-26-13-15-27(16-14-26)25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,17,23,25,28H,13-16,18-20H2.
What are the key properties of 1-(4-benzhydrylpiperazin-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol?
1-(4-benzhydrylpiperazin-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 406.53 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydrylpiperazin-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 2998242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).