[1-(3-aminopropyl)piperidin-4-yl]methanol;oxalic acid

C11H22N2O5 — CID 19104116

IUPAC[1-(3-aminopropyl)piperidin-4-yl]methanol;oxalic acid
SMILESNCCCN1CCC(CO)CC1.O=C(O)C(=O)O
InChIInChI=1S/C9H20N2O.C2H2O4/c10-4-1-5-11-6-2-9(8-12)3-7-11;3-1(4)2(5)6/h9,12H,1-8,10H2;(H,3,4)(H,5,6)
InChIKeyQPHMJATVDOPBSP-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.80
Rot. Bonds4

About [1-(3-aminopropyl)piperidin-4-yl]methanol;oxalic acid

[1-(3-aminopropyl)piperidin-4-yl]methanol;oxalic acid (PubChem CID 19104116) has the molecular formula C11H22N2O5 and a molecular weight of 262.31 g/mol. Its IUPAC name is [1-(3-aminopropyl)piperidin-4-yl]methanol;oxalic acid.

Molecular Properties

Compound Name[1-(3-aminopropyl)piperidin-4-yl]methanol;oxalic acid
PubChem CID19104116
Molecular FormulaC11H22N2O5
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Name[1-(3-aminopropyl)piperidin-4-yl]methanol;oxalic acid
SMILESNCCCN1CCC(CO)CC1.O=C(O)C(=O)O
InChIInChI=1S/C9H20N2O.C2H2O4/c10-4-1-5-11-6-2-9(8-12)3-7-11;3-1(4)2(5)6/h9,12H,1-8,10H2;(H,3,4)(H,5,6)
InChIKeyQPHMJATVDOPBSP-UHFFFAOYSA-N
XLogP-0.80
TPSA124.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.80
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-(3-aminopropyl)piperidin-4-yl]methanol;oxalic acid?
The IUPAC name of [1-(3-aminopropyl)piperidin-4-yl]methanol;oxalic acid (CID 19104116) is [1-(3-aminopropyl)piperidin-4-yl]methanol;oxalic acid.
What is the SMILES notation for [1-(3-aminopropyl)piperidin-4-yl]methanol;oxalic acid?
The canonical SMILES for [1-(3-aminopropyl)piperidin-4-yl]methanol;oxalic acid is NCCCN1CCC(CO)CC1.O=C(O)C(=O)O.
What is the InChIKey of [1-(3-aminopropyl)piperidin-4-yl]methanol;oxalic acid?
The InChIKey is QPHMJATVDOPBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.C2H2O4/c10-4-1-5-11-6-2-9(8-12)3-7-11;3-1(4)2(5)6/h9,12H,1-8,10H2;(H,3,4)(H,5,6).
What are the key properties of [1-(3-aminopropyl)piperidin-4-yl]methanol;oxalic acid?
[1-(3-aminopropyl)piperidin-4-yl]methanol;oxalic acid has a molecular weight of 262.31 g/mol, XLogP of -0.80, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-aminopropyl)piperidin-4-yl]methanol;oxalic acid is sourced from PubChem (CID 19104116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).