3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol

C13H19NO — CID 11052767

IUPAC3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol
SMILESC[C@H]1CNCC[C@@]1(C)c1cccc(O)c1
InChIInChI=1S/C13H19NO/c1-10-9-14-7-6-13(10,2)11-4-3-5-12(15)8-11/h3-5,8,10,14-15H,6-7,9H2,1-2H3/t10-,13+/m0/s1
InChIKeyHXZDAOSDNCHKFE-GXFFZTMASA-N
MW205.30 g/mol
LogP2.28
Rot. Bonds1

About 3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol

3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol (PubChem CID 11052767) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol
PubChem CID11052767
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol
SMILESC[C@H]1CNCC[C@@]1(C)c1cccc(O)c1
InChIInChI=1S/C13H19NO/c1-10-9-14-7-6-13(10,2)11-4-3-5-12(15)8-11/h3-5,8,10,14-15H,6-7,9H2,1-2H3/t10-,13+/m0/s1
InChIKeyHXZDAOSDNCHKFE-GXFFZTMASA-N
XLogP2.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol?
The IUPAC name of 3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol (CID 11052767) is 3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol.
What is the SMILES notation for 3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol?
The canonical SMILES for 3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol is C[C@H]1CNCC[C@@]1(C)c1cccc(O)c1.
What is the InChIKey of 3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol?
The InChIKey is HXZDAOSDNCHKFE-GXFFZTMASA-N. The full InChI is InChI=1S/C13H19NO/c1-10-9-14-7-6-13(10,2)11-4-3-5-12(15)8-11/h3-5,8,10,14-15H,6-7,9H2,1-2H3/t10-,13+/m0/s1.
What are the key properties of 3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol?
3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol has a molecular weight of 205.30 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol is sourced from PubChem (CID 11052767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).