1-(3-aminopropyl)piperidin-4-ol;oxalic acid

C10H20N2O5 — CID 19104112

IUPAC1-(3-aminopropyl)piperidin-4-ol;oxalic acid
SMILESNCCCN1CCC(O)CC1.O=C(O)C(=O)O
InChIInChI=1S/C8H18N2O.C2H2O4/c9-4-1-5-10-6-2-8(11)3-7-10;3-1(4)2(5)6/h8,11H,1-7,9H2;(H,3,4)(H,5,6)
InChIKeyOEWQZKZOJYSMMX-UHFFFAOYSA-N
MW248.28 g/mol
LogP-1.05
Rot. Bonds3

About 1-(3-aminopropyl)piperidin-4-ol;oxalic acid

1-(3-aminopropyl)piperidin-4-ol;oxalic acid (PubChem CID 19104112) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(3-aminopropyl)piperidin-4-ol;oxalic acid.

Molecular Properties

Compound Name1-(3-aminopropyl)piperidin-4-ol;oxalic acid
PubChem CID19104112
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name1-(3-aminopropyl)piperidin-4-ol;oxalic acid
SMILESNCCCN1CCC(O)CC1.O=C(O)C(=O)O
InChIInChI=1S/C8H18N2O.C2H2O4/c9-4-1-5-10-6-2-8(11)3-7-10;3-1(4)2(5)6/h8,11H,1-7,9H2;(H,3,4)(H,5,6)
InChIKeyOEWQZKZOJYSMMX-UHFFFAOYSA-N
XLogP-1.05
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 ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-Aminopropyl)piperidin-4-yl]methanol;oxalic acid
CID 19104116
Oxalic acid;piperidin-4-ol
CID 19104122
1-(2-Aminoethyl)piperidin-4-ol;oxalic acid
CID 19104126
2-Aminoacetic acid;oxalic acid;piperidin-4-ol
CID 67829819
3-Aminopropanoic acid;oxalic acid;piperidin-4-ol
CID 67830405
3-(Dimethylamino)propanoic acid;oxalic acid;piperidin-4-ol
CID 67830451
2-(Dimethylamino)acetic acid;oxalic acid;piperidin-4-ol
CID 67830460
2-Hydroxypropanoic acid;piperidine
CID 70171801
2-Amino-1-(4-hydroxypiperidin-1-yl)ethanone;oxalic acid
CID 157657609
3-Amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;oxalic acid
CID 161151431
2-[1-(3-Aminopropyl)piperidin-4-yl]oxyacetic acid
CID 63904920
2-Hydroxy-3-(piperidin-1-ylsulfonylamino)propanoic acid
CID 66167936

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)piperidin-4-ol;oxalic acid?
The IUPAC name of 1-(3-aminopropyl)piperidin-4-ol;oxalic acid (CID 19104112) is 1-(3-aminopropyl)piperidin-4-ol;oxalic acid.
What is the SMILES notation for 1-(3-aminopropyl)piperidin-4-ol;oxalic acid?
The canonical SMILES for 1-(3-aminopropyl)piperidin-4-ol;oxalic acid is NCCCN1CCC(O)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-(3-aminopropyl)piperidin-4-ol;oxalic acid?
The InChIKey is OEWQZKZOJYSMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.C2H2O4/c9-4-1-5-10-6-2-8(11)3-7-10;3-1(4)2(5)6/h8,11H,1-7,9H2;(H,3,4)(H,5,6).
What are the key properties of 1-(3-aminopropyl)piperidin-4-ol;oxalic acid?
1-(3-aminopropyl)piperidin-4-ol;oxalic acid has a molecular weight of 248.28 g/mol, XLogP of -1.05, 3 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-ol;oxalic acid is sourced from PubChem (CID 19104112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).