3-imino-3-piperidin-1-ylpropan-1-ol

C8H16N2O — CID 54350714

IUPAC3-imino-3-piperidin-1-ylpropan-1-ol
SMILES[H]/N=C(\CCO)N1CCCCC1
InChIInChI=1S/C8H16N2O/c9-8(4-7-11)10-5-2-1-3-6-10/h9,11H,1-7H2/b9-8+
InChIKeyMGKVCOOENBLMBB-CMDGGOBGSA-N
MW156.23 g/mol
LogP0.83
Rot. Bonds2

About 3-imino-3-piperidin-1-ylpropan-1-ol

3-imino-3-piperidin-1-ylpropan-1-ol (PubChem CID 54350714) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-imino-3-piperidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-imino-3-piperidin-1-ylpropan-1-ol
PubChem CID54350714
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-imino-3-piperidin-1-ylpropan-1-ol
SMILES[H]/N=C(\CCO)N1CCCCC1
InChIInChI=1S/C8H16N2O/c9-8(4-7-11)10-5-2-1-3-6-10/h9,11H,1-7H2/b9-8+
InChIKeyMGKVCOOENBLMBB-CMDGGOBGSA-N
XLogP0.83
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imino-3-piperidin-1-ylpropan-1-ol?
The IUPAC name of 3-imino-3-piperidin-1-ylpropan-1-ol (CID 54350714) is 3-imino-3-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for 3-imino-3-piperidin-1-ylpropan-1-ol?
The canonical SMILES for 3-imino-3-piperidin-1-ylpropan-1-ol is [H]/N=C(\CCO)N1CCCCC1.
What is the InChIKey of 3-imino-3-piperidin-1-ylpropan-1-ol?
The InChIKey is MGKVCOOENBLMBB-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2O/c9-8(4-7-11)10-5-2-1-3-6-10/h9,11H,1-7H2/b9-8+.
What are the key properties of 3-imino-3-piperidin-1-ylpropan-1-ol?
3-imino-3-piperidin-1-ylpropan-1-ol has a molecular weight of 156.23 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-3-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 54350714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).