[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl acetate

C23H30N2O3 — CID 10714935

IUPAC[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl acetate
SMILESCC(=O)OCc1cccc(CN2CCN(c3ccccc3OC(C)C)CC2)c1
InChIInChI=1S/C23H30N2O3/c1-18(2)28-23-10-5-4-9-22(23)25-13-11-24(12-14-25)16-20-7-6-8-21(15-20)17-27-19(3)26/h4-10,15,18H,11-14,16-17H2,1-3H3
InChIKeyOJISGWFVLDLTSW-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.86
Rot. Bonds7

About [3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl acetate

[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl acetate (PubChem CID 10714935) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is [3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl acetate.

Molecular Properties

Compound Name[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl acetate
PubChem CID10714935
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl acetate
SMILESCC(=O)OCc1cccc(CN2CCN(c3ccccc3OC(C)C)CC2)c1
InChIInChI=1S/C23H30N2O3/c1-18(2)28-23-10-5-4-9-22(23)25-13-11-24(12-14-25)16-20-7-6-8-21(15-20)17-27-19(3)26/h4-10,15,18H,11-14,16-17H2,1-3H3
InChIKeyOJISGWFVLDLTSW-UHFFFAOYSA-N
XLogP3.86
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl acetate?
The IUPAC name of [3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl acetate (CID 10714935) is [3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl acetate.
What is the SMILES notation for [3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl acetate?
The canonical SMILES for [3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl acetate is CC(=O)OCc1cccc(CN2CCN(c3ccccc3OC(C)C)CC2)c1.
What is the InChIKey of [3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl acetate?
The InChIKey is OJISGWFVLDLTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-18(2)28-23-10-5-4-9-22(23)25-13-11-24(12-14-25)16-20-7-6-8-21(15-20)17-27-19(3)26/h4-10,15,18H,11-14,16-17H2,1-3H3.
What are the key properties of [3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl acetate?
[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl acetate has a molecular weight of 382.50 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl acetate is sourced from PubChem (CID 10714935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).