2,6-dimethyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]morpholine;oxalic acid

C22H34N4O9 — CID 24840235

IUPAC2,6-dimethyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]morpholine;oxalic acid
SMILESCC1CN(CCCN2CCN(c3ccccn3)CC2)CC(C)O1.O=C(O)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C18H30N4O.2C2H2O4/c1-16-14-21(15-17(2)23-16)9-5-8-20-10-12-22(13-11-20)18-6-3-4-7-19-18;2*3-1(4)2(5)6/h3-4,6-7,16-17H,5,8-15H2,1-2H3;2*(H,3,4)(H,5,6)
InChIKeyUQVCULYKJXRMES-UHFFFAOYSA-N
MW498.53 g/mol
LogP0.01
Rot. Bonds5

About 2,6-dimethyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]morpholine;oxalic acid

2,6-dimethyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]morpholine;oxalic acid (PubChem CID 24840235) has the molecular formula C22H34N4O9 and a molecular weight of 498.53 g/mol. Its IUPAC name is 2,6-dimethyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]morpholine;oxalic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]morpholine;oxalic acid
PubChem CID24840235
Molecular FormulaC22H34N4O9
Molecular Weight498.53 g/mol
Exact Mass498.23
IUPAC Name2,6-dimethyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]morpholine;oxalic acid
SMILESCC1CN(CCCN2CCN(c3ccccn3)CC2)CC(C)O1.O=C(O)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C18H30N4O.2C2H2O4/c1-16-14-21(15-17(2)23-16)9-5-8-20-10-12-22(13-11-20)18-6-3-4-7-19-18;2*3-1(4)2(5)6/h3-4,6-7,16-17H,5,8-15H2,1-2H3;2*(H,3,4)(H,5,6)
InChIKeyUQVCULYKJXRMES-UHFFFAOYSA-N
XLogP0.01
TPSA181.04 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.53
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2,6-dimethyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]morpholine;oxalic acid with MolForge

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Related Compounds

(1-Pyridin-2-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate
CID 89487574
Morpholin-4-yl 4-(2-pyridyl)piperazinyl ketone
CID 752010
Octylamine, N-(2-(diethylamino)ethyl)-N-(2-pyridyl)-, trioxalate
CID 3063947
2H-Imidazo(4,5-b)pyridin-2-one, 1,3-dihydro-1,3-bis(4-morpholinylmethyl)-, ethanedioate (1:1)
CID 3070167
1H-Azepine, hexahydro-1-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)-, ethanedioate (1:3)
CID 24833981
1H-Azepine, hexahydro-1-(3-(4-(2-pyridinyl)-1-piperazinyl)propyl)-, ethanedioate (1:1)
CID 24833983
Piperazine, 1-(cyclobutylmethyl)-4-(2-pyridinyl)-, ethanedioate (2:3)
CID 24842051
Piperazine, 1-(cyclohexylmethyl)-4-(2-pyridinyl)-, ethanedioate (1:2)
CID 24842056
Piperazine, 1-(cyclopropylmethyl)-4-(2-pyridinyl)-, ethanedioate (1:1)
CID 24842057
1-Piperazinepropanamine, N,N-diethyl-4-(2-pyridinyl)-, ethanedioate (1:3)
CID 24842249
Piperazine, 1-(2-pyridinyl)-4-(3-(1-pyrrolidinyl)propyl)-, ethanedioate (1:3)
CID 24842287
1-Piperazineethanamine, N,N-bis(1-methylethyl)-4-(2-pyridinyl)-, ethanedioate (1:3)
CID 44147323

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]morpholine;oxalic acid?
The IUPAC name of 2,6-dimethyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]morpholine;oxalic acid (CID 24840235) is 2,6-dimethyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]morpholine;oxalic acid.
What is the SMILES notation for 2,6-dimethyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]morpholine;oxalic acid?
The canonical SMILES for 2,6-dimethyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]morpholine;oxalic acid is CC1CN(CCCN2CCN(c3ccccn3)CC2)CC(C)O1.O=C(O)C(=O)O.O=C(O)C(=O)O.
What is the InChIKey of 2,6-dimethyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]morpholine;oxalic acid?
The InChIKey is UQVCULYKJXRMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O.2C2H2O4/c1-16-14-21(15-17(2)23-16)9-5-8-20-10-12-22(13-11-20)18-6-3-4-7-19-18;2*3-1(4)2(5)6/h3-4,6-7,16-17H,5,8-15H2,1-2H3;2*(H,3,4)(H,5,6).
What are the key properties of 2,6-dimethyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]morpholine;oxalic acid?
2,6-dimethyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]morpholine;oxalic acid has a molecular weight of 498.53 g/mol, XLogP of 0.01, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]morpholine;oxalic acid is sourced from PubChem (CID 24840235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).