1-[(2S)-1-tert-butylpiperidin-2-yl]ethenol

C11H21NO — CID 170290439

IUPAC1-[(2S)-1-tert-butylpiperidin-2-yl]ethenol
SMILESC=C(O)[C@@H]1CCCCN1C(C)(C)C
InChIInChI=1S/C11H21NO/c1-9(13)10-7-5-6-8-12(10)11(2,3)4/h10,13H,1,5-8H2,2-4H3/t10-/m0/s1
InChIKeyCIIOZEYMOIQEFI-JTQLQIEISA-N
MW183.29 g/mol
LogP2.71
Rot. Bonds1

About 1-[(2S)-1-tert-butylpiperidin-2-yl]ethenol

1-[(2S)-1-tert-butylpiperidin-2-yl]ethenol (PubChem CID 170290439) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-[(2S)-1-tert-butylpiperidin-2-yl]ethenol.

Molecular Properties

Compound Name1-[(2S)-1-tert-butylpiperidin-2-yl]ethenol
PubChem CID170290439
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-[(2S)-1-tert-butylpiperidin-2-yl]ethenol
SMILESC=C(O)[C@@H]1CCCCN1C(C)(C)C
InChIInChI=1S/C11H21NO/c1-9(13)10-7-5-6-8-12(10)11(2,3)4/h10,13H,1,5-8H2,2-4H3/t10-/m0/s1
InChIKeyCIIOZEYMOIQEFI-JTQLQIEISA-N
XLogP2.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
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 1-[(2S)-1-tert-butylpiperidin-2-yl]ethenol?
The IUPAC name of 1-[(2S)-1-tert-butylpiperidin-2-yl]ethenol (CID 170290439) is 1-[(2S)-1-tert-butylpiperidin-2-yl]ethenol.
What is the SMILES notation for 1-[(2S)-1-tert-butylpiperidin-2-yl]ethenol?
The canonical SMILES for 1-[(2S)-1-tert-butylpiperidin-2-yl]ethenol is C=C(O)[C@@H]1CCCCN1C(C)(C)C.
What is the InChIKey of 1-[(2S)-1-tert-butylpiperidin-2-yl]ethenol?
The InChIKey is CIIOZEYMOIQEFI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO/c1-9(13)10-7-5-6-8-12(10)11(2,3)4/h10,13H,1,5-8H2,2-4H3/t10-/m0/s1.
What are the key properties of 1-[(2S)-1-tert-butylpiperidin-2-yl]ethenol?
1-[(2S)-1-tert-butylpiperidin-2-yl]ethenol has a molecular weight of 183.29 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-tert-butylpiperidin-2-yl]ethenol is sourced from PubChem (CID 170290439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).