(1-ethanimidoylpiperidin-4-yl)methanol

C8H16N2O — CID 59020702

IUPAC(1-ethanimidoylpiperidin-4-yl)methanol
SMILES[H]/N=C(\C)N1CCC(CO)CC1
InChIInChI=1S/C8H16N2O/c1-7(9)10-4-2-8(6-11)3-5-10/h8-9,11H,2-6H2,1H3/b9-7+
InChIKeyQZCKCSDNJAJOAL-VQHVLOKHSA-N
MW156.23 g/mol
LogP0.69
Rot. Bonds1

About (1-ethanimidoylpiperidin-4-yl)methanol

(1-ethanimidoylpiperidin-4-yl)methanol (PubChem CID 59020702) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (1-ethanimidoylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name(1-ethanimidoylpiperidin-4-yl)methanol
PubChem CID59020702
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(1-ethanimidoylpiperidin-4-yl)methanol
SMILES[H]/N=C(\C)N1CCC(CO)CC1
InChIInChI=1S/C8H16N2O/c1-7(9)10-4-2-8(6-11)3-5-10/h8-9,11H,2-6H2,1H3/b9-7+
InChIKeyQZCKCSDNJAJOAL-VQHVLOKHSA-N
XLogP0.69
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.69
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 (1-ethanimidoylpiperidin-4-yl)methanol?
The IUPAC name of (1-ethanimidoylpiperidin-4-yl)methanol (CID 59020702) is (1-ethanimidoylpiperidin-4-yl)methanol.
What is the SMILES notation for (1-ethanimidoylpiperidin-4-yl)methanol?
The canonical SMILES for (1-ethanimidoylpiperidin-4-yl)methanol is [H]/N=C(\C)N1CCC(CO)CC1.
What is the InChIKey of (1-ethanimidoylpiperidin-4-yl)methanol?
The InChIKey is QZCKCSDNJAJOAL-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(9)10-4-2-8(6-11)3-5-10/h8-9,11H,2-6H2,1H3/b9-7+.
What are the key properties of (1-ethanimidoylpiperidin-4-yl)methanol?
(1-ethanimidoylpiperidin-4-yl)methanol has a molecular weight of 156.23 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethanimidoylpiperidin-4-yl)methanol is sourced from PubChem (CID 59020702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).