[3-(4-methylpiperazin-1-yl)-1-phenylpropyl] acetate

C16H24N2O2 — CID 3073532

IUPAC[3-(4-methylpiperazin-1-yl)-1-phenylpropyl] acetate
SMILESCC(=O)OC(CCN1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-14(19)20-16(15-6-4-3-5-7-15)8-9-18-12-10-17(2)11-13-18/h3-7,16H,8-13H2,1-2H3
InChIKeyKGFVOHMUWZMMGX-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.93
Rot. Bonds5

About [3-(4-methylpiperazin-1-yl)-1-phenylpropyl] acetate

[3-(4-methylpiperazin-1-yl)-1-phenylpropyl] acetate (PubChem CID 3073532) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [3-(4-methylpiperazin-1-yl)-1-phenylpropyl] acetate.

Molecular Properties

Compound Name[3-(4-methylpiperazin-1-yl)-1-phenylpropyl] acetate
PubChem CID3073532
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[3-(4-methylpiperazin-1-yl)-1-phenylpropyl] acetate
SMILESCC(=O)OC(CCN1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-14(19)20-16(15-6-4-3-5-7-15)8-9-18-12-10-17(2)11-13-18/h3-7,16H,8-13H2,1-2H3
InChIKeyKGFVOHMUWZMMGX-UHFFFAOYSA-N
XLogP1.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methylpiperazin-1-yl)-1-phenylpropyl] acetate?
The IUPAC name of [3-(4-methylpiperazin-1-yl)-1-phenylpropyl] acetate (CID 3073532) is [3-(4-methylpiperazin-1-yl)-1-phenylpropyl] acetate.
What is the SMILES notation for [3-(4-methylpiperazin-1-yl)-1-phenylpropyl] acetate?
The canonical SMILES for [3-(4-methylpiperazin-1-yl)-1-phenylpropyl] acetate is CC(=O)OC(CCN1CCN(C)CC1)c1ccccc1.
What is the InChIKey of [3-(4-methylpiperazin-1-yl)-1-phenylpropyl] acetate?
The InChIKey is KGFVOHMUWZMMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-14(19)20-16(15-6-4-3-5-7-15)8-9-18-12-10-17(2)11-13-18/h3-7,16H,8-13H2,1-2H3.
What are the key properties of [3-(4-methylpiperazin-1-yl)-1-phenylpropyl] acetate?
[3-(4-methylpiperazin-1-yl)-1-phenylpropyl] acetate has a molecular weight of 276.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylpiperazin-1-yl)-1-phenylpropyl] acetate is sourced from PubChem (CID 3073532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).