2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanoic acid

C14H22N4O2 — CID 19810560

IUPAC2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanoic acid
SMILESCCCCC(C(=O)O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H22N4O2/c1-2-3-5-12(13(19)20)17-8-10-18(11-9-17)14-15-6-4-7-16-14/h4,6-7,12H,2-3,5,8-11H2,1H3,(H,19,20)
InChIKeyOBYWGLQOCASNBF-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.24
Rot. Bonds6

About 2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanoic acid

2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanoic acid (PubChem CID 19810560) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanoic acid.

Molecular Properties

Compound Name2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanoic acid
PubChem CID19810560
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanoic acid
SMILESCCCCC(C(=O)O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H22N4O2/c1-2-3-5-12(13(19)20)17-8-10-18(11-9-17)14-15-6-4-7-16-14/h4,6-7,12H,2-3,5,8-11H2,1H3,(H,19,20)
InChIKeyOBYWGLQOCASNBF-UHFFFAOYSA-N
XLogP1.24
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanoic acid?
The IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanoic acid (CID 19810560) is 2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanoic acid.
What is the SMILES notation for 2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanoic acid?
The canonical SMILES for 2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanoic acid is CCCCC(C(=O)O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanoic acid?
The InChIKey is OBYWGLQOCASNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-3-5-12(13(19)20)17-8-10-18(11-9-17)14-15-6-4-7-16-14/h4,6-7,12H,2-3,5,8-11H2,1H3,(H,19,20).
What are the key properties of 2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanoic acid?
2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanoic acid has a molecular weight of 278.36 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanoic acid is sourced from PubChem (CID 19810560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).