ethane;1-methanimidoyl-4-methylpiperidin-4-ol

C9H20N2O — CID 170740420

IUPACethane;1-methanimidoyl-4-methylpiperidin-4-ol
SMILESCC.[H]/N=C/N1CCC(C)(O)CC1
InChIInChI=1S/C7H14N2O.C2H6/c1-7(10)2-4-9(6-8)5-3-7;1-2/h6,8,10H,2-5H2,1H3;1-2H3/b8-6+;
InChIKeyCWJRMISABRFMRE-WVLIHFOGSA-N
MW172.27 g/mol
LogP1.47
Rot. Bonds1

About ethane;1-methanimidoyl-4-methylpiperidin-4-ol

ethane;1-methanimidoyl-4-methylpiperidin-4-ol (PubChem CID 170740420) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is ethane;1-methanimidoyl-4-methylpiperidin-4-ol.

Molecular Properties

Compound Nameethane;1-methanimidoyl-4-methylpiperidin-4-ol
PubChem CID170740420
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Nameethane;1-methanimidoyl-4-methylpiperidin-4-ol
SMILESCC.[H]/N=C/N1CCC(C)(O)CC1
InChIInChI=1S/C7H14N2O.C2H6/c1-7(10)2-4-9(6-8)5-3-7;1-2/h6,8,10H,2-5H2,1H3;1-2H3/b8-6+;
InChIKeyCWJRMISABRFMRE-WVLIHFOGSA-N
XLogP1.47
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.47
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 ethane;1-methanimidoyl-4-methylpiperidin-4-ol?
The IUPAC name of ethane;1-methanimidoyl-4-methylpiperidin-4-ol (CID 170740420) is ethane;1-methanimidoyl-4-methylpiperidin-4-ol.
What is the SMILES notation for ethane;1-methanimidoyl-4-methylpiperidin-4-ol?
The canonical SMILES for ethane;1-methanimidoyl-4-methylpiperidin-4-ol is CC.[H]/N=C/N1CCC(C)(O)CC1.
What is the InChIKey of ethane;1-methanimidoyl-4-methylpiperidin-4-ol?
The InChIKey is CWJRMISABRFMRE-WVLIHFOGSA-N. The full InChI is InChI=1S/C7H14N2O.C2H6/c1-7(10)2-4-9(6-8)5-3-7;1-2/h6,8,10H,2-5H2,1H3;1-2H3/b8-6+;.
What are the key properties of ethane;1-methanimidoyl-4-methylpiperidin-4-ol?
ethane;1-methanimidoyl-4-methylpiperidin-4-ol has a molecular weight of 172.27 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methanimidoyl-4-methylpiperidin-4-ol is sourced from PubChem (CID 170740420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).