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

C12H18N4O2 — CID 14392357

IUPAC4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoic acid
SMILESO=C(O)CCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H18N4O2/c17-11(18)3-1-6-15-7-9-16(10-8-15)12-13-4-2-5-14-12/h2,4-5H,1,3,6-10H2,(H,17,18)
InChIKeyFZMKTOMLRMRZFO-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.46
Rot. Bonds5

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

4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoic acid (PubChem CID 14392357) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoic acid
PubChem CID14392357
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoic acid
SMILESO=C(O)CCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H18N4O2/c17-11(18)3-1-6-15-7-9-16(10-8-15)12-13-4-2-5-14-12/h2,4-5H,1,3,6-10H2,(H,17,18)
InChIKeyFZMKTOMLRMRZFO-UHFFFAOYSA-N
XLogP0.46
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoic acid?
The IUPAC name of 4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoic acid (CID 14392357) is 4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoic acid.
What is the SMILES notation for 4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoic acid?
The canonical SMILES for 4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoic acid is O=C(O)CCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoic acid?
The InChIKey is FZMKTOMLRMRZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c17-11(18)3-1-6-15-7-9-16(10-8-15)12-13-4-2-5-14-12/h2,4-5H,1,3,6-10H2,(H,17,18).
What are the key properties of 4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoic acid?
4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoic acid has a molecular weight of 250.30 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoic acid is sourced from PubChem (CID 14392357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).