4-[(E)-2-[(2S)-1-methylpiperidin-2-yl]ethenyl]phenol

C14H19NO — CID 50901754

IUPAC4-[(E)-2-[(2S)-1-methylpiperidin-2-yl]ethenyl]phenol
SMILESCN1CCCC[C@H]1/C=C/c1ccc(O)cc1
InChIInChI=1S/C14H19NO/c1-15-11-3-2-4-13(15)8-5-12-6-9-14(16)10-7-12/h5-10,13,16H,2-4,11H2,1H3/b8-5+/t13-/m0/s1
InChIKeyUKYRYYDKRQVYHH-LJLILKBBSA-N
MW217.31 g/mol
LogP2.89
Rot. Bonds2

About 4-[(E)-2-[(2S)-1-methylpiperidin-2-yl]ethenyl]phenol

4-[(E)-2-[(2S)-1-methylpiperidin-2-yl]ethenyl]phenol (PubChem CID 50901754) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-[(E)-2-[(2S)-1-methylpiperidin-2-yl]ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-[(2S)-1-methylpiperidin-2-yl]ethenyl]phenol
PubChem CID50901754
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-[(E)-2-[(2S)-1-methylpiperidin-2-yl]ethenyl]phenol
SMILESCN1CCCC[C@H]1/C=C/c1ccc(O)cc1
InChIInChI=1S/C14H19NO/c1-15-11-3-2-4-13(15)8-5-12-6-9-14(16)10-7-12/h5-10,13,16H,2-4,11H2,1H3/b8-5+/t13-/m0/s1
InChIKeyUKYRYYDKRQVYHH-LJLILKBBSA-N
XLogP2.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[(2S)-1-methylpiperidin-2-yl]ethenyl]phenol?
The IUPAC name of 4-[(E)-2-[(2S)-1-methylpiperidin-2-yl]ethenyl]phenol (CID 50901754) is 4-[(E)-2-[(2S)-1-methylpiperidin-2-yl]ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-[(2S)-1-methylpiperidin-2-yl]ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-[(2S)-1-methylpiperidin-2-yl]ethenyl]phenol is CN1CCCC[C@H]1/C=C/c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-2-[(2S)-1-methylpiperidin-2-yl]ethenyl]phenol?
The InChIKey is UKYRYYDKRQVYHH-LJLILKBBSA-N. The full InChI is InChI=1S/C14H19NO/c1-15-11-3-2-4-13(15)8-5-12-6-9-14(16)10-7-12/h5-10,13,16H,2-4,11H2,1H3/b8-5+/t13-/m0/s1.
What are the key properties of 4-[(E)-2-[(2S)-1-methylpiperidin-2-yl]ethenyl]phenol?
4-[(E)-2-[(2S)-1-methylpiperidin-2-yl]ethenyl]phenol has a molecular weight of 217.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[(2S)-1-methylpiperidin-2-yl]ethenyl]phenol is sourced from PubChem (CID 50901754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).