ethane;1-(5-methylpiperidin-3-yl)ethenol

C10H21NO — CID 178104466

IUPACethane;1-(5-methylpiperidin-3-yl)ethenol
SMILESC=C(O)C1CNCC(C)C1.CC
InChIInChI=1S/C8H15NO.C2H6/c1-6-3-8(7(2)10)5-9-4-6;1-2/h6,8-10H,2-5H2,1H3;1-2H3
InChIKeyCEDWDYGJFGFYJP-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.33
Rot. Bonds1

About ethane;1-(5-methylpiperidin-3-yl)ethenol

ethane;1-(5-methylpiperidin-3-yl)ethenol (PubChem CID 178104466) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is ethane;1-(5-methylpiperidin-3-yl)ethenol.

Molecular Properties

Compound Nameethane;1-(5-methylpiperidin-3-yl)ethenol
PubChem CID178104466
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nameethane;1-(5-methylpiperidin-3-yl)ethenol
SMILESC=C(O)C1CNCC(C)C1.CC
InChIInChI=1S/C8H15NO.C2H6/c1-6-3-8(7(2)10)5-9-4-6;1-2/h6,8-10H,2-5H2,1H3;1-2H3
InChIKeyCEDWDYGJFGFYJP-UHFFFAOYSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(5-methylpiperidin-3-yl)ethenol?
The IUPAC name of ethane;1-(5-methylpiperidin-3-yl)ethenol (CID 178104466) is ethane;1-(5-methylpiperidin-3-yl)ethenol.
What is the SMILES notation for ethane;1-(5-methylpiperidin-3-yl)ethenol?
The canonical SMILES for ethane;1-(5-methylpiperidin-3-yl)ethenol is C=C(O)C1CNCC(C)C1.CC.
What is the InChIKey of ethane;1-(5-methylpiperidin-3-yl)ethenol?
The InChIKey is CEDWDYGJFGFYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-6-3-8(7(2)10)5-9-4-6;1-2/h6,8-10H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;1-(5-methylpiperidin-3-yl)ethenol?
ethane;1-(5-methylpiperidin-3-yl)ethenol has a molecular weight of 171.28 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(5-methylpiperidin-3-yl)ethenol is sourced from PubChem (CID 178104466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).