2-[1-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]amino]ethenyl]phenol

C15H22N2O — CID 2392717

IUPAC2-[1-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]amino]ethenyl]phenol
SMILESC=C(NN1[C@H](C)CCC[C@@H]1C)c1ccccc1O
InChIInChI=1S/C15H22N2O/c1-11-7-6-8-12(2)17(11)16-13(3)14-9-4-5-10-15(14)18/h4-5,9-12,16,18H,3,6-8H2,1-2H3/t11-,12+
InChIKeyVBGWDPLYYUHVAE-TXEJJXNPSA-N
MW246.35 g/mol
LogP3.13
Rot. Bonds3

About 2-[1-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]amino]ethenyl]phenol

2-[1-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]amino]ethenyl]phenol (PubChem CID 2392717) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[1-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]amino]ethenyl]phenol.

Molecular Properties

Compound Name2-[1-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]amino]ethenyl]phenol
PubChem CID2392717
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[1-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]amino]ethenyl]phenol
SMILESC=C(NN1[C@H](C)CCC[C@@H]1C)c1ccccc1O
InChIInChI=1S/C15H22N2O/c1-11-7-6-8-12(2)17(11)16-13(3)14-9-4-5-10-15(14)18/h4-5,9-12,16,18H,3,6-8H2,1-2H3/t11-,12+
InChIKeyVBGWDPLYYUHVAE-TXEJJXNPSA-N
XLogP3.13
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]amino]ethenyl]phenol?
The IUPAC name of 2-[1-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]amino]ethenyl]phenol (CID 2392717) is 2-[1-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]amino]ethenyl]phenol.
What is the SMILES notation for 2-[1-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]amino]ethenyl]phenol?
The canonical SMILES for 2-[1-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]amino]ethenyl]phenol is C=C(NN1[C@H](C)CCC[C@@H]1C)c1ccccc1O.
What is the InChIKey of 2-[1-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]amino]ethenyl]phenol?
The InChIKey is VBGWDPLYYUHVAE-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)17(11)16-13(3)14-9-4-5-10-15(14)18/h4-5,9-12,16,18H,3,6-8H2,1-2H3/t11-,12+.
What are the key properties of 2-[1-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]amino]ethenyl]phenol?
2-[1-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]amino]ethenyl]phenol has a molecular weight of 246.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]amino]ethenyl]phenol is sourced from PubChem (CID 2392717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).