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

C20H29N3O8 — CID 24842056

IUPAC1-(cyclohexylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid
SMILESO=C(O)C(=O)O.O=C(O)C(=O)O.c1ccc(N2CCN(CC3CCCCC3)CC2)nc1
InChIInChI=1S/C16H25N3.2C2H2O4/c1-2-6-15(7-3-1)14-18-10-12-19(13-11-18)16-8-4-5-9-17-16;2*3-1(4)2(5)6/h4-5,8-9,15H,1-3,6-7,10-14H2;2*(H,3,4)(H,5,6)
InChIKeyOAQYGFBPILCCQW-UHFFFAOYSA-N
MW439.47 g/mol
LogP1.10
Rot. Bonds3

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

1-(cyclohexylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid (PubChem CID 24842056) has the molecular formula C20H29N3O8 and a molecular weight of 439.47 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid
PubChem CID24842056
Molecular FormulaC20H29N3O8
Molecular Weight439.47 g/mol
Exact Mass439.20
IUPAC Name1-(cyclohexylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid
SMILESO=C(O)C(=O)O.O=C(O)C(=O)O.c1ccc(N2CCN(CC3CCCCC3)CC2)nc1
InChIInChI=1S/C16H25N3.2C2H2O4/c1-2-6-15(7-3-1)14-18-10-12-19(13-11-18)16-8-4-5-9-17-16;2*3-1(4)2(5)6/h4-5,8-9,15H,1-3,6-7,10-14H2;2*(H,3,4)(H,5,6)
InChIKeyOAQYGFBPILCCQW-UHFFFAOYSA-N
XLogP1.10
TPSA168.57 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-(cyclohexylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid?
The IUPAC name of 1-(cyclohexylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid (CID 24842056) is 1-(cyclohexylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid?
The canonical SMILES for 1-(cyclohexylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid is O=C(O)C(=O)O.O=C(O)C(=O)O.c1ccc(N2CCN(CC3CCCCC3)CC2)nc1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid?
The InChIKey is OAQYGFBPILCCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3.2C2H2O4/c1-2-6-15(7-3-1)14-18-10-12-19(13-11-18)16-8-4-5-9-17-16;2*3-1(4)2(5)6/h4-5,8-9,15H,1-3,6-7,10-14H2;2*(H,3,4)(H,5,6).
What are the key properties of 1-(cyclohexylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid?
1-(cyclohexylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid has a molecular weight of 439.47 g/mol, XLogP of 1.10, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-pyridin-2-ylpiperazine;oxalic acid is sourced from PubChem (CID 24842056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).