2-imino-2-piperidin-1-ylethane-1,1-diol

C7H14N2O2 — CID 91289521

IUPAC2-imino-2-piperidin-1-ylethane-1,1-diol
SMILES[H]/N=C(\C(O)O)N1CCCCC1
InChIInChI=1S/C7H14N2O2/c8-6(7(10)11)9-4-2-1-3-5-9/h7-8,10-11H,1-5H2/b8-6+
InChIKeyFYTAJJTWBBYCCD-SOFGYWHQSA-N
MW158.20 g/mol
LogP-0.24
Rot. Bonds1

About 2-imino-2-piperidin-1-ylethane-1,1-diol

2-imino-2-piperidin-1-ylethane-1,1-diol (PubChem CID 91289521) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-imino-2-piperidin-1-ylethane-1,1-diol.

Molecular Properties

Compound Name2-imino-2-piperidin-1-ylethane-1,1-diol
PubChem CID91289521
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-imino-2-piperidin-1-ylethane-1,1-diol
SMILES[H]/N=C(\C(O)O)N1CCCCC1
InChIInChI=1S/C7H14N2O2/c8-6(7(10)11)9-4-2-1-3-5-9/h7-8,10-11H,1-5H2/b8-6+
InChIKeyFYTAJJTWBBYCCD-SOFGYWHQSA-N
XLogP-0.24
TPSA67.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-Aminooxy-2-imino-2-piperidin-1-ylethanol
CID 90745429
2-Imino-2-piperidin-1-ylethanol
CID 91460076

Frequently Asked Questions

What is the IUPAC name of 2-imino-2-piperidin-1-ylethane-1,1-diol?
The IUPAC name of 2-imino-2-piperidin-1-ylethane-1,1-diol (CID 91289521) is 2-imino-2-piperidin-1-ylethane-1,1-diol.
What is the SMILES notation for 2-imino-2-piperidin-1-ylethane-1,1-diol?
The canonical SMILES for 2-imino-2-piperidin-1-ylethane-1,1-diol is [H]/N=C(\C(O)O)N1CCCCC1.
What is the InChIKey of 2-imino-2-piperidin-1-ylethane-1,1-diol?
The InChIKey is FYTAJJTWBBYCCD-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H14N2O2/c8-6(7(10)11)9-4-2-1-3-5-9/h7-8,10-11H,1-5H2/b8-6+.
What are the key properties of 2-imino-2-piperidin-1-ylethane-1,1-diol?
2-imino-2-piperidin-1-ylethane-1,1-diol has a molecular weight of 158.20 g/mol, XLogP of -0.24, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-2-piperidin-1-ylethane-1,1-diol is sourced from PubChem (CID 91289521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).