azane;2-[2-(1-phenylprop-2-enyl)piperidin-1-yl]ethanol;hydrochloride

C16H27ClN2O — CID 173061268

IUPACazane;2-[2-(1-phenylprop-2-enyl)piperidin-1-yl]ethanol;hydrochloride
SMILESC=CC(c1ccccc1)C1CCCCN1CCO.Cl.N
InChIInChI=1S/C16H23NO.ClH.H3N/c1-2-15(14-8-4-3-5-9-14)16-10-6-7-11-17(16)12-13-18;;/h2-5,8-9,15-16,18H,1,6-7,10-13H2;1H;1H3
InChIKeyOLXCDANHQWHIAQ-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.39
Rot. Bonds5

About azane;2-[2-(1-phenylprop-2-enyl)piperidin-1-yl]ethanol;hydrochloride

azane;2-[2-(1-phenylprop-2-enyl)piperidin-1-yl]ethanol;hydrochloride (PubChem CID 173061268) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is azane;2-[2-(1-phenylprop-2-enyl)piperidin-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Nameazane;2-[2-(1-phenylprop-2-enyl)piperidin-1-yl]ethanol;hydrochloride
PubChem CID173061268
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Nameazane;2-[2-(1-phenylprop-2-enyl)piperidin-1-yl]ethanol;hydrochloride
SMILESC=CC(c1ccccc1)C1CCCCN1CCO.Cl.N
InChIInChI=1S/C16H23NO.ClH.H3N/c1-2-15(14-8-4-3-5-9-14)16-10-6-7-11-17(16)12-13-18;;/h2-5,8-9,15-16,18H,1,6-7,10-13H2;1H;1H3
InChIKeyOLXCDANHQWHIAQ-UHFFFAOYSA-N
XLogP3.39
TPSA58.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;2-[2-(1-phenylprop-2-enyl)piperidin-1-yl]ethanol;hydrochloride?
The IUPAC name of azane;2-[2-(1-phenylprop-2-enyl)piperidin-1-yl]ethanol;hydrochloride (CID 173061268) is azane;2-[2-(1-phenylprop-2-enyl)piperidin-1-yl]ethanol;hydrochloride.
What is the SMILES notation for azane;2-[2-(1-phenylprop-2-enyl)piperidin-1-yl]ethanol;hydrochloride?
The canonical SMILES for azane;2-[2-(1-phenylprop-2-enyl)piperidin-1-yl]ethanol;hydrochloride is C=CC(c1ccccc1)C1CCCCN1CCO.Cl.N.
What is the InChIKey of azane;2-[2-(1-phenylprop-2-enyl)piperidin-1-yl]ethanol;hydrochloride?
The InChIKey is OLXCDANHQWHIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO.ClH.H3N/c1-2-15(14-8-4-3-5-9-14)16-10-6-7-11-17(16)12-13-18;;/h2-5,8-9,15-16,18H,1,6-7,10-13H2;1H;1H3.
What are the key properties of azane;2-[2-(1-phenylprop-2-enyl)piperidin-1-yl]ethanol;hydrochloride?
azane;2-[2-(1-phenylprop-2-enyl)piperidin-1-yl]ethanol;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-[2-(1-phenylprop-2-enyl)piperidin-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 173061268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).