4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylbutan-2-ol

C29H36N2O2 — CID 24825328

IUPAC4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylbutan-2-ol
SMILESCC(O)(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C29H36N2O2/c1-29(32,27-15-9-4-10-16-27)17-18-30-19-21-31(22-20-30)23-24-33-28(25-11-5-2-6-12-25)26-13-7-3-8-14-26/h2-16,28,32H,17-24H2,1H3
InChIKeyRMWQLXLFYHDPRH-UHFFFAOYSA-N
MW444.62 g/mol
LogP4.71
Rot. Bonds10

About 4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylbutan-2-ol

4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylbutan-2-ol (PubChem CID 24825328) has the molecular formula C29H36N2O2 and a molecular weight of 444.62 g/mol. Its IUPAC name is 4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylbutan-2-ol.

Molecular Properties

Compound Name4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylbutan-2-ol
PubChem CID24825328
Molecular FormulaC29H36N2O2
Molecular Weight444.62 g/mol
Exact Mass444.28
IUPAC Name4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylbutan-2-ol
SMILESCC(O)(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C29H36N2O2/c1-29(32,27-15-9-4-10-16-27)17-18-30-19-21-31(22-20-30)23-24-33-28(25-11-5-2-6-12-25)26-13-7-3-8-14-26/h2-16,28,32H,17-24H2,1H3
InChIKeyRMWQLXLFYHDPRH-UHFFFAOYSA-N
XLogP4.71
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylbutan-2-ol?
The IUPAC name of 4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylbutan-2-ol (CID 24825328) is 4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylbutan-2-ol.
What is the SMILES notation for 4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylbutan-2-ol?
The canonical SMILES for 4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylbutan-2-ol is CC(O)(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylbutan-2-ol?
The InChIKey is RMWQLXLFYHDPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O2/c1-29(32,27-15-9-4-10-16-27)17-18-30-19-21-31(22-20-30)23-24-33-28(25-11-5-2-6-12-25)26-13-7-3-8-14-26/h2-16,28,32H,17-24H2,1H3.
What are the key properties of 4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylbutan-2-ol?
4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylbutan-2-ol has a molecular weight of 444.62 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-2-phenylbutan-2-ol is sourced from PubChem (CID 24825328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).