4-pentylpiperazine-1-carboxylic acid

C10H20N2O2 — CID 23023158

IUPAC4-pentylpiperazine-1-carboxylic acid
SMILESCCCCCN1CCN(C(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-2-3-4-5-11-6-8-12(9-7-11)10(13)14/h2-9H2,1H3,(H,13,14)
InChIKeyXSWXYGIYYWXHNS-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.47
Rot. Bonds4

About 4-pentylpiperazine-1-carboxylic acid

4-pentylpiperazine-1-carboxylic acid (PubChem CID 23023158) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-pentylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-pentylpiperazine-1-carboxylic acid
PubChem CID23023158
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-pentylpiperazine-1-carboxylic acid
SMILESCCCCCN1CCN(C(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-2-3-4-5-11-6-8-12(9-7-11)10(13)14/h2-9H2,1H3,(H,13,14)
InChIKeyXSWXYGIYYWXHNS-UHFFFAOYSA-N
XLogP1.47
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pentylpiperazine-1-carboxylic acid?
The IUPAC name of 4-pentylpiperazine-1-carboxylic acid (CID 23023158) is 4-pentylpiperazine-1-carboxylic acid.
What is the SMILES notation for 4-pentylpiperazine-1-carboxylic acid?
The canonical SMILES for 4-pentylpiperazine-1-carboxylic acid is CCCCCN1CCN(C(=O)O)CC1.
What is the InChIKey of 4-pentylpiperazine-1-carboxylic acid?
The InChIKey is XSWXYGIYYWXHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-3-4-5-11-6-8-12(9-7-11)10(13)14/h2-9H2,1H3,(H,13,14).
What are the key properties of 4-pentylpiperazine-1-carboxylic acid?
4-pentylpiperazine-1-carboxylic acid has a molecular weight of 200.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentylpiperazine-1-carboxylic acid is sourced from PubChem (CID 23023158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).