4-piperazin-1-ylbutanoic acid

C8H16N2O2 — CID 19758953

IUPAC4-piperazin-1-ylbutanoic acid
SMILESO=C(O)CCCN1CCNCC1
InChIInChI=1S/C8H16N2O2/c11-8(12)2-1-5-10-6-3-9-4-7-10/h9H,1-7H2,(H,11,12)
InChIKeyQNUAPDZZKKIKGU-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.24
Rot. Bonds4

About 4-piperazin-1-ylbutanoic acid

4-piperazin-1-ylbutanoic acid (PubChem CID 19758953) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-piperazin-1-ylbutanoic acid.

Molecular Properties

Compound Name4-piperazin-1-ylbutanoic acid
PubChem CID19758953
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name4-piperazin-1-ylbutanoic acid
SMILESO=C(O)CCCN1CCNCC1
InChIInChI=1S/C8H16N2O2/c11-8(12)2-1-5-10-6-3-9-4-7-10/h9H,1-7H2,(H,11,12)
InChIKeyQNUAPDZZKKIKGU-UHFFFAOYSA-N
XLogP-0.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylbutanoic acid?
The IUPAC name of 4-piperazin-1-ylbutanoic acid (CID 19758953) is 4-piperazin-1-ylbutanoic acid.
What is the SMILES notation for 4-piperazin-1-ylbutanoic acid?
The canonical SMILES for 4-piperazin-1-ylbutanoic acid is O=C(O)CCCN1CCNCC1.
What is the InChIKey of 4-piperazin-1-ylbutanoic acid?
The InChIKey is QNUAPDZZKKIKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c11-8(12)2-1-5-10-6-3-9-4-7-10/h9H,1-7H2,(H,11,12).
What are the key properties of 4-piperazin-1-ylbutanoic acid?
4-piperazin-1-ylbutanoic acid has a molecular weight of 172.23 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylbutanoic acid is sourced from PubChem (CID 19758953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).