4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid

C23H35N3O5 — CID 17369370

IUPAC4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc(CN2CCC(N3CCC(N4CCOCC4)CC3)CC2)cc1
InChIInChI=1S/C21H33N3O.C2H2O4/c1-2-4-19(5-3-1)18-22-10-6-20(7-11-22)23-12-8-21(9-13-23)24-14-16-25-17-15-24;3-1(4)2(5)6/h1-5,20-21H,6-18H2;(H,3,4)(H,5,6)
InChIKeyHFUCKURECPQJGV-UHFFFAOYSA-N
MW433.55 g/mol
LogP1.60
Rot. Bonds4

About 4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid

4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid (PubChem CID 17369370) has the molecular formula C23H35N3O5 and a molecular weight of 433.55 g/mol. Its IUPAC name is 4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid.

Molecular Properties

Compound Name4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid
PubChem CID17369370
Molecular FormulaC23H35N3O5
Molecular Weight433.55 g/mol
Exact Mass433.26
IUPAC Name4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc(CN2CCC(N3CCC(N4CCOCC4)CC3)CC2)cc1
InChIInChI=1S/C21H33N3O.C2H2O4/c1-2-4-19(5-3-1)18-22-10-6-20(7-11-22)23-12-8-21(9-13-23)24-14-16-25-17-15-24;3-1(4)2(5)6/h1-5,20-21H,6-18H2;(H,3,4)(H,5,6)
InChIKeyHFUCKURECPQJGV-UHFFFAOYSA-N
XLogP1.60
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine
CID 171913248
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 56752149
1-(1-benzylpiperidin-4-yl)-4-[(4-bromophenyl)methyl]piperazine;oxalic acid
CID 17366692
1-(1-benzylpiperidin-4-yl)piperidin-4-ol
CID 67272846
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-(1,4-oxazepan-4-yl)methanone
CID 56861468
1-benzyl-4-cyclohexylpiperazine;oxalic acid
CID 126476719
1-(1-benzylpiperidin-4-yl)-4-[(3-methylphenyl)methyl]piperazine;oxalic acid
CID 17366774
1-(1-benzylpiperidin-4-yl)-4-[(4-methylsulfanylphenyl)methyl]piperazine;oxalic acid
CID 90483967
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid
CID 69053980
1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-phenylpropan-2-one
CID 63170231
azepan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone;oxalic acid
CID 90483690

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid?
The IUPAC name of 4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid (CID 17369370) is 4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid.
What is the SMILES notation for 4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid?
The canonical SMILES for 4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid is O=C(O)C(=O)O.c1ccc(CN2CCC(N3CCC(N4CCOCC4)CC3)CC2)cc1.
What is the InChIKey of 4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid?
The InChIKey is HFUCKURECPQJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O.C2H2O4/c1-2-4-19(5-3-1)18-22-10-6-20(7-11-22)23-12-8-21(9-13-23)24-14-16-25-17-15-24;3-1(4)2(5)6/h1-5,20-21H,6-18H2;(H,3,4)(H,5,6).
What are the key properties of 4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid?
4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid has a molecular weight of 433.55 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid is sourced from PubChem (CID 17369370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).