1-(cyclopropylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid

C15H21N3O4 — CID 24842057

IUPAC1-(cyclopropylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc(N2CCN(CC3CC3)CC2)nc1
InChIInChI=1S/C13H19N3.C2H2O4/c1-2-6-14-13(3-1)16-9-7-15(8-10-16)11-12-4-5-12;3-1(4)2(5)6/h1-3,6,12H,4-5,7-11H2;(H,3,4)(H,5,6)
InChIKeyVVRHLVZKRVAEET-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.77
Rot. Bonds3

About 1-(cyclopropylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid

1-(cyclopropylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid (PubChem CID 24842057) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid
PubChem CID24842057
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name1-(cyclopropylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc(N2CCN(CC3CC3)CC2)nc1
InChIInChI=1S/C13H19N3.C2H2O4/c1-2-6-14-13(3-1)16-9-7-15(8-10-16)11-12-4-5-12;3-1(4)2(5)6/h1-3,6,12H,4-5,7-11H2;(H,3,4)(H,5,6)
InChIKeyVVRHLVZKRVAEET-UHFFFAOYSA-N
XLogP0.77
TPSA93.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid?
The IUPAC name of 1-(cyclopropylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid (CID 24842057) is 1-(cyclopropylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid is O=C(O)C(=O)O.c1ccc(N2CCN(CC3CC3)CC2)nc1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid?
The InChIKey is VVRHLVZKRVAEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3.C2H2O4/c1-2-6-14-13(3-1)16-9-7-15(8-10-16)11-12-4-5-12;3-1(4)2(5)6/h1-3,6,12H,4-5,7-11H2;(H,3,4)(H,5,6).
What are the key properties of 1-(cyclopropylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid?
1-(cyclopropylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid has a molecular weight of 307.35 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid is sourced from PubChem (CID 24842057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).