1-benzhydryloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol

C22H30N2O2 — CID 4986988

IUPAC1-benzhydryloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol
SMILESCCN1CCN(CC(O)COC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H30N2O2/c1-2-23-13-15-24(16-14-23)17-21(25)18-26-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21-22,25H,2,13-18H2,1H3
InChIKeyQGZBJBRIMBDZQA-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.79
Rot. Bonds8

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

1-benzhydryloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol (PubChem CID 4986988) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-benzhydryloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-benzhydryloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol
PubChem CID4986988
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-benzhydryloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol
SMILESCCN1CCN(CC(O)COC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H30N2O2/c1-2-23-13-15-24(16-14-23)17-21(25)18-26-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21-22,25H,2,13-18H2,1H3
InChIKeyQGZBJBRIMBDZQA-UHFFFAOYSA-N
XLogP2.79
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-benzhydryloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol (CID 4986988) is 1-benzhydryloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-benzhydryloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-benzhydryloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol is CCN1CCN(CC(O)COC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol?
The InChIKey is QGZBJBRIMBDZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-2-23-13-15-24(16-14-23)17-21(25)18-26-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21-22,25H,2,13-18H2,1H3.
What are the key properties of 1-benzhydryloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol?
1-benzhydryloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol has a molecular weight of 354.49 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 4986988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).