1-(2-aminoethyl)piperidin-4-ol;oxalic acid

C9H18N2O5 — CID 19104126

IUPAC1-(2-aminoethyl)piperidin-4-ol;oxalic acid
SMILESNCCN1CCC(O)CC1.O=C(O)C(=O)O
InChIInChI=1S/C7H16N2O.C2H2O4/c8-3-6-9-4-1-7(10)2-5-9;3-1(4)2(5)6/h7,10H,1-6,8H2;(H,3,4)(H,5,6)
InChIKeyNSFKASQEFGJQCL-UHFFFAOYSA-N
MW234.25 g/mol
LogP-1.44
Rot. Bonds2

About 1-(2-aminoethyl)piperidin-4-ol;oxalic acid

1-(2-aminoethyl)piperidin-4-ol;oxalic acid (PubChem CID 19104126) has the molecular formula C9H18N2O5 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-(2-aminoethyl)piperidin-4-ol;oxalic acid.

Molecular Properties

Compound Name1-(2-aminoethyl)piperidin-4-ol;oxalic acid
PubChem CID19104126
Molecular FormulaC9H18N2O5
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name1-(2-aminoethyl)piperidin-4-ol;oxalic acid
SMILESNCCN1CCC(O)CC1.O=C(O)C(=O)O
InChIInChI=1S/C7H16N2O.C2H2O4/c8-3-6-9-4-1-7(10)2-5-9;3-1(4)2(5)6/h7,10H,1-6,8H2;(H,3,4)(H,5,6)
InChIKeyNSFKASQEFGJQCL-UHFFFAOYSA-N
XLogP-1.44
TPSA124.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-aminoethyl)piperidin-4-ol;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

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)piperidin-4-ol;oxalic acid?
The IUPAC name of 1-(2-aminoethyl)piperidin-4-ol;oxalic acid (CID 19104126) is 1-(2-aminoethyl)piperidin-4-ol;oxalic acid.
What is the SMILES notation for 1-(2-aminoethyl)piperidin-4-ol;oxalic acid?
The canonical SMILES for 1-(2-aminoethyl)piperidin-4-ol;oxalic acid is NCCN1CCC(O)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-(2-aminoethyl)piperidin-4-ol;oxalic acid?
The InChIKey is NSFKASQEFGJQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.C2H2O4/c8-3-6-9-4-1-7(10)2-5-9;3-1(4)2(5)6/h7,10H,1-6,8H2;(H,3,4)(H,5,6).
What are the key properties of 1-(2-aminoethyl)piperidin-4-ol;oxalic acid?
1-(2-aminoethyl)piperidin-4-ol;oxalic acid has a molecular weight of 234.25 g/mol, XLogP of -1.44, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)piperidin-4-ol;oxalic acid is sourced from PubChem (CID 19104126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).