[2-[4-(2-acetyloxy-2-phenylethyl)piperazin-1-yl]-1-phenylethyl] acetate

C24H30N2O4 — CID 22297806

IUPAC[2-[4-(2-acetyloxy-2-phenylethyl)piperazin-1-yl]-1-phenylethyl] acetate
SMILESCC(=O)OC(CN1CCN(CC(OC(C)=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H30N2O4/c1-19(27)29-23(21-9-5-3-6-10-21)17-25-13-15-26(16-14-25)18-24(30-20(2)28)22-11-7-4-8-12-22/h3-12,23-24H,13-18H2,1-2H3
InChIKeyCZKJGKBRKKKODI-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.21
Rot. Bonds8

About [2-[4-(2-acetyloxy-2-phenylethyl)piperazin-1-yl]-1-phenylethyl] acetate

[2-[4-(2-acetyloxy-2-phenylethyl)piperazin-1-yl]-1-phenylethyl] acetate (PubChem CID 22297806) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is [2-[4-(2-acetyloxy-2-phenylethyl)piperazin-1-yl]-1-phenylethyl] acetate.

Molecular Properties

Compound Name[2-[4-(2-acetyloxy-2-phenylethyl)piperazin-1-yl]-1-phenylethyl] acetate
PubChem CID22297806
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name[2-[4-(2-acetyloxy-2-phenylethyl)piperazin-1-yl]-1-phenylethyl] acetate
SMILESCC(=O)OC(CN1CCN(CC(OC(C)=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H30N2O4/c1-19(27)29-23(21-9-5-3-6-10-21)17-25-13-15-26(16-14-25)18-24(30-20(2)28)22-11-7-4-8-12-22/h3-12,23-24H,13-18H2,1-2H3
InChIKeyCZKJGKBRKKKODI-UHFFFAOYSA-N
XLogP3.21
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(azepan-1-yl)-1-phenylethyl] acetate
CID 3115187
[(1R)-1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] acetate
CID 95243356
[(1R)-2-[(3S,4S)-4-(2-benzhydryloxyethyl)-3-hydroxypiperidin-1-yl]-1-phenylethyl] acetate
CID 69229598
[2-[4-(2-benzhydryloxyethyl)-3-hydroxypiperidin-1-yl]-1-phenylethyl] acetate
CID 69229771
[(1S)-1-phenyl-2-piperidin-1-ylethyl] benzoate
CID 177441507
[(1R)-2-methoxy-1-phenylethyl] acetate
CID 101055201
(2-imidazol-1-yl-1-phenylethyl) acetate
CID 3242727
[(1S)-1-phenylpentyl] acetate
CID 12651064
[2-[4-(2-benzhydryloxyethyl)-3-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)ethyl] acetate
CID 69236553
3-acetyloxy-3-phenylpropanoic acid;1,1'-biphenyl
CID 19790806
[1-phenyl-2-(propan-2-ylamino)ethyl] acetate
CID 54509010
1-benzyl-4-[(2R)-2-methoxy-2-phenylethyl]piperazine
CID 10448132

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-acetyloxy-2-phenylethyl)piperazin-1-yl]-1-phenylethyl] acetate?
The IUPAC name of [2-[4-(2-acetyloxy-2-phenylethyl)piperazin-1-yl]-1-phenylethyl] acetate (CID 22297806) is [2-[4-(2-acetyloxy-2-phenylethyl)piperazin-1-yl]-1-phenylethyl] acetate.
What is the SMILES notation for [2-[4-(2-acetyloxy-2-phenylethyl)piperazin-1-yl]-1-phenylethyl] acetate?
The canonical SMILES for [2-[4-(2-acetyloxy-2-phenylethyl)piperazin-1-yl]-1-phenylethyl] acetate is CC(=O)OC(CN1CCN(CC(OC(C)=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of [2-[4-(2-acetyloxy-2-phenylethyl)piperazin-1-yl]-1-phenylethyl] acetate?
The InChIKey is CZKJGKBRKKKODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-19(27)29-23(21-9-5-3-6-10-21)17-25-13-15-26(16-14-25)18-24(30-20(2)28)22-11-7-4-8-12-22/h3-12,23-24H,13-18H2,1-2H3.
What are the key properties of [2-[4-(2-acetyloxy-2-phenylethyl)piperazin-1-yl]-1-phenylethyl] acetate?
[2-[4-(2-acetyloxy-2-phenylethyl)piperazin-1-yl]-1-phenylethyl] acetate has a molecular weight of 410.51 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-acetyloxy-2-phenylethyl)piperazin-1-yl]-1-phenylethyl] acetate is sourced from PubChem (CID 22297806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).