ethane;2-piperidin-1-ium-3-ylethenol

C9H20NO+ — CID 143898592

IUPACethane;2-piperidin-1-ium-3-ylethenol
SMILESCC.OC=CC1CCC[NH2+]C1
InChIInChI=1S/C7H13NO.C2H6/c9-5-3-7-2-1-4-8-6-7;1-2/h3,5,7-9H,1-2,4,6H2;1-2H3/p+1
InChIKeyYRWYFMQBHGXWTR-UHFFFAOYSA-O
MW158.26 g/mol
LogP1.06
Rot. Bonds1

About ethane;2-piperidin-1-ium-3-ylethenol

ethane;2-piperidin-1-ium-3-ylethenol (PubChem CID 143898592) has the molecular formula C9H20NO+ and a molecular weight of 158.26 g/mol. Its IUPAC name is ethane;2-piperidin-1-ium-3-ylethenol.

Molecular Properties

Compound Nameethane;2-piperidin-1-ium-3-ylethenol
PubChem CID143898592
Molecular FormulaC9H20NO+
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Nameethane;2-piperidin-1-ium-3-ylethenol
SMILESCC.OC=CC1CCC[NH2+]C1
InChIInChI=1S/C7H13NO.C2H6/c9-5-3-7-2-1-4-8-6-7;1-2/h3,5,7-9H,1-2,4,6H2;1-2H3/p+1
InChIKeyYRWYFMQBHGXWTR-UHFFFAOYSA-O
XLogP1.06
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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;2-piperidin-1-ium-3-ylethenol?
The IUPAC name of ethane;2-piperidin-1-ium-3-ylethenol (CID 143898592) is ethane;2-piperidin-1-ium-3-ylethenol.
What is the SMILES notation for ethane;2-piperidin-1-ium-3-ylethenol?
The canonical SMILES for ethane;2-piperidin-1-ium-3-ylethenol is CC.OC=CC1CCC[NH2+]C1.
What is the InChIKey of ethane;2-piperidin-1-ium-3-ylethenol?
The InChIKey is YRWYFMQBHGXWTR-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13NO.C2H6/c9-5-3-7-2-1-4-8-6-7;1-2/h3,5,7-9H,1-2,4,6H2;1-2H3/p+1.
What are the key properties of ethane;2-piperidin-1-ium-3-ylethenol?
ethane;2-piperidin-1-ium-3-ylethenol has a molecular weight of 158.26 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-piperidin-1-ium-3-ylethenol is sourced from PubChem (CID 143898592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).