3-[(3R,4R)-1-ethyl-3,4-dimethylpiperidin-4-yl]phenol

C15H23NO — CID 10059897

IUPAC3-[(3R,4R)-1-ethyl-3,4-dimethylpiperidin-4-yl]phenol
SMILESCCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1
InChIInChI=1S/C15H23NO/c1-4-16-9-8-15(3,12(2)11-16)13-6-5-7-14(17)10-13/h5-7,10,12,17H,4,8-9,11H2,1-3H3/t12-,15+/m0/s1
InChIKeyUOXGEFGTAJRBRM-SWLSCSKDSA-N
MW233.36 g/mol
LogP3.01
Rot. Bonds2

About 3-[(3R,4R)-1-ethyl-3,4-dimethylpiperidin-4-yl]phenol

3-[(3R,4R)-1-ethyl-3,4-dimethylpiperidin-4-yl]phenol (PubChem CID 10059897) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-[(3R,4R)-1-ethyl-3,4-dimethylpiperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[(3R,4R)-1-ethyl-3,4-dimethylpiperidin-4-yl]phenol
PubChem CID10059897
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-[(3R,4R)-1-ethyl-3,4-dimethylpiperidin-4-yl]phenol
SMILESCCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1
InChIInChI=1S/C15H23NO/c1-4-16-9-8-15(3,12(2)11-16)13-6-5-7-14(17)10-13/h5-7,10,12,17H,4,8-9,11H2,1-3H3/t12-,15+/m0/s1
InChIKeyUOXGEFGTAJRBRM-SWLSCSKDSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-1-ethyl-3,4-dimethylpiperidin-4-yl]phenol?
The IUPAC name of 3-[(3R,4R)-1-ethyl-3,4-dimethylpiperidin-4-yl]phenol (CID 10059897) is 3-[(3R,4R)-1-ethyl-3,4-dimethylpiperidin-4-yl]phenol.
What is the SMILES notation for 3-[(3R,4R)-1-ethyl-3,4-dimethylpiperidin-4-yl]phenol?
The canonical SMILES for 3-[(3R,4R)-1-ethyl-3,4-dimethylpiperidin-4-yl]phenol is CCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1.
What is the InChIKey of 3-[(3R,4R)-1-ethyl-3,4-dimethylpiperidin-4-yl]phenol?
The InChIKey is UOXGEFGTAJRBRM-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-16-9-8-15(3,12(2)11-16)13-6-5-7-14(17)10-13/h5-7,10,12,17H,4,8-9,11H2,1-3H3/t12-,15+/m0/s1.
What are the key properties of 3-[(3R,4R)-1-ethyl-3,4-dimethylpiperidin-4-yl]phenol?
3-[(3R,4R)-1-ethyl-3,4-dimethylpiperidin-4-yl]phenol has a molecular weight of 233.36 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-1-ethyl-3,4-dimethylpiperidin-4-yl]phenol is sourced from PubChem (CID 10059897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).