2-imino-2-piperidin-1-ylethanol

C7H14N2O — CID 91460076

IUPAC2-imino-2-piperidin-1-ylethanol
SMILES[H]/N=C(\CO)N1CCCCC1
InChIInChI=1S/C7H14N2O/c8-7(6-10)9-4-2-1-3-5-9/h8,10H,1-6H2/b8-7+
InChIKeyNIOWJRFCFITEIG-BQYQJAHWSA-N
MW142.20 g/mol
LogP0.44
Rot. Bonds1

About 2-imino-2-piperidin-1-ylethanol

2-imino-2-piperidin-1-ylethanol (PubChem CID 91460076) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-imino-2-piperidin-1-ylethanol.

Molecular Properties

Compound Name2-imino-2-piperidin-1-ylethanol
PubChem CID91460076
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-imino-2-piperidin-1-ylethanol
SMILES[H]/N=C(\CO)N1CCCCC1
InChIInChI=1S/C7H14N2O/c8-7(6-10)9-4-2-1-3-5-9/h8,10H,1-6H2/b8-7+
InChIKeyNIOWJRFCFITEIG-BQYQJAHWSA-N
XLogP0.44
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.44
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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Related Compounds

2-Imino-2-(4-methylpiperidin-1-yl)ethanol
CID 20637111
1-Ethanimidoylpiperidin-3-ol
CID 60085599
1-Aminooxy-2-imino-2-piperidin-1-ylethanol
CID 90745429
2-Imino-2-piperidin-1-ylethane-1,1-diol
CID 91289521
2-Hydroxy-2-piperidin-1-ylethanimidamide
CID 175228742
2-imino-2-[(3R)-3-methylpiperidin-1-yl]ethanol
CID 100024919
2-imino-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 100024921
2-Imino-2-(3-methylpiperidin-1-yl)ethanol
CID 102571155

Frequently Asked Questions

What is the IUPAC name of 2-imino-2-piperidin-1-ylethanol?
The IUPAC name of 2-imino-2-piperidin-1-ylethanol (CID 91460076) is 2-imino-2-piperidin-1-ylethanol.
What is the SMILES notation for 2-imino-2-piperidin-1-ylethanol?
The canonical SMILES for 2-imino-2-piperidin-1-ylethanol is [H]/N=C(\CO)N1CCCCC1.
What is the InChIKey of 2-imino-2-piperidin-1-ylethanol?
The InChIKey is NIOWJRFCFITEIG-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H14N2O/c8-7(6-10)9-4-2-1-3-5-9/h8,10H,1-6H2/b8-7+.
What are the key properties of 2-imino-2-piperidin-1-ylethanol?
2-imino-2-piperidin-1-ylethanol has a molecular weight of 142.20 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-2-piperidin-1-ylethanol is sourced from PubChem (CID 91460076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).