2-[4-(2-propan-2-yloxan-4-yl)piperazin-1-yl]acetic acid

C14H26N2O3 — CID 65055242

IUPAC2-[4-(2-propan-2-yloxan-4-yl)piperazin-1-yl]acetic acid
SMILESCC(C)C1CC(N2CCN(CC(=O)O)CC2)CCO1
InChIInChI=1S/C14H26N2O3/c1-11(2)13-9-12(3-8-19-13)16-6-4-15(5-7-16)10-14(17)18/h11-13H,3-10H2,1-2H3,(H,17,18)
InChIKeyCHEGOGRDSDYILP-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.89
Rot. Bonds4

About 2-[4-(2-propan-2-yloxan-4-yl)piperazin-1-yl]acetic acid

2-[4-(2-propan-2-yloxan-4-yl)piperazin-1-yl]acetic acid (PubChem CID 65055242) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[4-(2-propan-2-yloxan-4-yl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-propan-2-yloxan-4-yl)piperazin-1-yl]acetic acid
PubChem CID65055242
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[4-(2-propan-2-yloxan-4-yl)piperazin-1-yl]acetic acid
SMILESCC(C)C1CC(N2CCN(CC(=O)O)CC2)CCO1
InChIInChI=1S/C14H26N2O3/c1-11(2)13-9-12(3-8-19-13)16-6-4-15(5-7-16)10-14(17)18/h11-13H,3-10H2,1-2H3,(H,17,18)
InChIKeyCHEGOGRDSDYILP-UHFFFAOYSA-N
XLogP0.89
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-propan-2-yloxan-4-yl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-propan-2-yloxan-4-yl)piperazin-1-yl]acetic acid (CID 65055242) is 2-[4-(2-propan-2-yloxan-4-yl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-propan-2-yloxan-4-yl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-propan-2-yloxan-4-yl)piperazin-1-yl]acetic acid is CC(C)C1CC(N2CCN(CC(=O)O)CC2)CCO1.
What is the InChIKey of 2-[4-(2-propan-2-yloxan-4-yl)piperazin-1-yl]acetic acid?
The InChIKey is CHEGOGRDSDYILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(2)13-9-12(3-8-19-13)16-6-4-15(5-7-16)10-14(17)18/h11-13H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(2-propan-2-yloxan-4-yl)piperazin-1-yl]acetic acid?
2-[4-(2-propan-2-yloxan-4-yl)piperazin-1-yl]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-propan-2-yloxan-4-yl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 65055242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).