1-(aminomethyl)piperidine-3,4,5-triol

C6H14N2O3 — CID 67340037

IUPAC1-(aminomethyl)piperidine-3,4,5-triol
SMILESNCN1CC(O)C(O)C(O)C1
InChIInChI=1S/C6H14N2O3/c7-3-8-1-4(9)6(11)5(10)2-8/h4-6,9-11H,1-3,7H2
InChIKeyMIGKFHLGAQJEEB-UHFFFAOYSA-N
MW162.19 g/mol
LogP-2.70
Rot. Bonds1

About 1-(aminomethyl)piperidine-3,4,5-triol

1-(aminomethyl)piperidine-3,4,5-triol (PubChem CID 67340037) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-(aminomethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name1-(aminomethyl)piperidine-3,4,5-triol
PubChem CID67340037
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name1-(aminomethyl)piperidine-3,4,5-triol
SMILESNCN1CC(O)C(O)C(O)C1
InChIInChI=1S/C6H14N2O3/c7-3-8-1-4(9)6(11)5(10)2-8/h4-6,9-11H,1-3,7H2
InChIKeyMIGKFHLGAQJEEB-UHFFFAOYSA-N
XLogP-2.70
TPSA89.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-2.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)piperidine-3,4,5-triol?
The IUPAC name of 1-(aminomethyl)piperidine-3,4,5-triol (CID 67340037) is 1-(aminomethyl)piperidine-3,4,5-triol.
What is the SMILES notation for 1-(aminomethyl)piperidine-3,4,5-triol?
The canonical SMILES for 1-(aminomethyl)piperidine-3,4,5-triol is NCN1CC(O)C(O)C(O)C1.
What is the InChIKey of 1-(aminomethyl)piperidine-3,4,5-triol?
The InChIKey is MIGKFHLGAQJEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c7-3-8-1-4(9)6(11)5(10)2-8/h4-6,9-11H,1-3,7H2.
What are the key properties of 1-(aminomethyl)piperidine-3,4,5-triol?
1-(aminomethyl)piperidine-3,4,5-triol has a molecular weight of 162.19 g/mol, XLogP of -2.70, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 67340037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).