propan-2-yl 2-[4-(4-chlorophenyl)piperazin-1-yl]acetate

C15H21ClN2O2 — CID 5061481

IUPACpropan-2-yl 2-[4-(4-chlorophenyl)piperazin-1-yl]acetate
SMILESCC(C)OC(=O)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O2/c1-12(2)20-15(19)11-17-7-9-18(10-8-17)14-5-3-13(16)4-6-14/h3-6,12H,7-11H2,1-2H3
InChIKeyASMXNTQYEBZSHU-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.41
Rot. Bonds4

About propan-2-yl 2-[4-(4-chlorophenyl)piperazin-1-yl]acetate

propan-2-yl 2-[4-(4-chlorophenyl)piperazin-1-yl]acetate (PubChem CID 5061481) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is propan-2-yl 2-[4-(4-chlorophenyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-(4-chlorophenyl)piperazin-1-yl]acetate
PubChem CID5061481
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Namepropan-2-yl 2-[4-(4-chlorophenyl)piperazin-1-yl]acetate
SMILESCC(C)OC(=O)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O2/c1-12(2)20-15(19)11-17-7-9-18(10-8-17)14-5-3-13(16)4-6-14/h3-6,12H,7-11H2,1-2H3
InChIKeyASMXNTQYEBZSHU-UHFFFAOYSA-N
XLogP2.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-(4-chlorophenyl)piperazin-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[4-(4-chlorophenyl)piperazin-1-yl]acetate (CID 5061481) is propan-2-yl 2-[4-(4-chlorophenyl)piperazin-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[4-(4-chlorophenyl)piperazin-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[4-(4-chlorophenyl)piperazin-1-yl]acetate is CC(C)OC(=O)CN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of propan-2-yl 2-[4-(4-chlorophenyl)piperazin-1-yl]acetate?
The InChIKey is ASMXNTQYEBZSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-12(2)20-15(19)11-17-7-9-18(10-8-17)14-5-3-13(16)4-6-14/h3-6,12H,7-11H2,1-2H3.
What are the key properties of propan-2-yl 2-[4-(4-chlorophenyl)piperazin-1-yl]acetate?
propan-2-yl 2-[4-(4-chlorophenyl)piperazin-1-yl]acetate has a molecular weight of 296.80 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-(4-chlorophenyl)piperazin-1-yl]acetate is sourced from PubChem (CID 5061481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).