1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-one

C28H32N2O2 — CID 24825329

IUPAC1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H32N2O2/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-32-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,28H,16-23H2
InChIKeyZFPHIEDKJKNXOI-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.22
Rot. Bonds10

About 1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-one

1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-one (PubChem CID 24825329) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-one
PubChem CID24825329
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC Name1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H32N2O2/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-32-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,28H,16-23H2
InChIKeyZFPHIEDKJKNXOI-UHFFFAOYSA-N
XLogP4.22
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Vanoxerine
CID 3455
Eprazinone
CID 3245
Fenbutrazate
CID 20395
1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine
CID 3456
1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenyl-2-propenyl)piperazine
CID 5788723
Eprazinone Hydrochloride
CID 73356
Carbiphene
CID 10080
3-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylpropan-1-one
CID 10693838
3-(4-{2-[Bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-1-phenylpropan-1-one
CID 12017337
1-(4-{2-[Bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-3-phenylpropan-2-one
CID 20443023
2-(4-{2-[Bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-1-phenylethan-1-one
CID 20443040
Vanoxerine dihydrochloride
CID 104920

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-one?
The IUPAC name of 1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-one (CID 24825329) is 1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-one.
What is the SMILES notation for 1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-one?
The canonical SMILES for 1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-one is O=C(Cc1ccccc1)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-one?
The InChIKey is ZFPHIEDKJKNXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-32-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,28H,16-23H2.
What are the key properties of 1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-one?
1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-one has a molecular weight of 428.58 g/mol, XLogP of 4.22, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-one is sourced from PubChem (CID 24825329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).