[1-(2-aminoethyl)piperidin-4-yl]methanol;oxalic acid

C10H20N2O5 — CID 19104141

IUPAC[1-(2-aminoethyl)piperidin-4-yl]methanol;oxalic acid
SMILESNCCN1CCC(CO)CC1.O=C(O)C(=O)O
InChIInChI=1S/C8H18N2O.C2H2O4/c9-3-6-10-4-1-8(7-11)2-5-10;3-1(4)2(5)6/h8,11H,1-7,9H2;(H,3,4)(H,5,6)
InChIKeyUBQXNFXBOUEQCT-UHFFFAOYSA-N
MW248.28 g/mol
LogP-1.20
Rot. Bonds3

About [1-(2-aminoethyl)piperidin-4-yl]methanol;oxalic acid

[1-(2-aminoethyl)piperidin-4-yl]methanol;oxalic acid (PubChem CID 19104141) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is [1-(2-aminoethyl)piperidin-4-yl]methanol;oxalic acid.

Molecular Properties

Compound Name[1-(2-aminoethyl)piperidin-4-yl]methanol;oxalic acid
PubChem CID19104141
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name[1-(2-aminoethyl)piperidin-4-yl]methanol;oxalic acid
SMILESNCCN1CCC(CO)CC1.O=C(O)C(=O)O
InChIInChI=1S/C8H18N2O.C2H2O4/c9-3-6-10-4-1-8(7-11)2-5-10;3-1(4)2(5)6/h8,11H,1-7,9H2;(H,3,4)(H,5,6)
InChIKeyUBQXNFXBOUEQCT-UHFFFAOYSA-N
XLogP-1.20
TPSA124.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
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-(2-aminoethyl)piperidin-4-yl]methanol;oxalic acid?
The IUPAC name of [1-(2-aminoethyl)piperidin-4-yl]methanol;oxalic acid (CID 19104141) is [1-(2-aminoethyl)piperidin-4-yl]methanol;oxalic acid.
What is the SMILES notation for [1-(2-aminoethyl)piperidin-4-yl]methanol;oxalic acid?
The canonical SMILES for [1-(2-aminoethyl)piperidin-4-yl]methanol;oxalic acid is NCCN1CCC(CO)CC1.O=C(O)C(=O)O.
What is the InChIKey of [1-(2-aminoethyl)piperidin-4-yl]methanol;oxalic acid?
The InChIKey is UBQXNFXBOUEQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.C2H2O4/c9-3-6-10-4-1-8(7-11)2-5-10;3-1(4)2(5)6/h8,11H,1-7,9H2;(H,3,4)(H,5,6).
What are the key properties of [1-(2-aminoethyl)piperidin-4-yl]methanol;oxalic acid?
[1-(2-aminoethyl)piperidin-4-yl]methanol;oxalic acid has a molecular weight of 248.28 g/mol, XLogP of -1.20, 3 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-yl]methanol;oxalic acid is sourced from PubChem (CID 19104141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).