(2R,4S,5S)-1-ethyl-2,5-dimethyl-4-phenylpiperidin-4-ol

C15H23NO — CID 7079870

IUPAC(2R,4S,5S)-1-ethyl-2,5-dimethyl-4-phenylpiperidin-4-ol
SMILESCCN1C[C@H](C)[C@](O)(c2ccccc2)C[C@H]1C
InChIInChI=1S/C15H23NO/c1-4-16-11-12(2)15(17,10-13(16)3)14-8-6-5-7-9-14/h5-9,12-13,17H,4,10-11H2,1-3H3/t12-,13+,15-/m0/s1
InChIKeyXLCYCZFQMQVQNF-GUTXKFCHSA-N
MW233.36 g/mol
LogP2.62
Rot. Bonds2

About (2R,4S,5S)-1-ethyl-2,5-dimethyl-4-phenylpiperidin-4-ol

(2R,4S,5S)-1-ethyl-2,5-dimethyl-4-phenylpiperidin-4-ol (PubChem CID 7079870) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (2R,4S,5S)-1-ethyl-2,5-dimethyl-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name(2R,4S,5S)-1-ethyl-2,5-dimethyl-4-phenylpiperidin-4-ol
PubChem CID7079870
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(2R,4S,5S)-1-ethyl-2,5-dimethyl-4-phenylpiperidin-4-ol
SMILESCCN1C[C@H](C)[C@](O)(c2ccccc2)C[C@H]1C
InChIInChI=1S/C15H23NO/c1-4-16-11-12(2)15(17,10-13(16)3)14-8-6-5-7-9-14/h5-9,12-13,17H,4,10-11H2,1-3H3/t12-,13+,15-/m0/s1
InChIKeyXLCYCZFQMQVQNF-GUTXKFCHSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-1-ethyl-2,5-dimethyl-4-phenylpiperidin-4-ol?
The IUPAC name of (2R,4S,5S)-1-ethyl-2,5-dimethyl-4-phenylpiperidin-4-ol (CID 7079870) is (2R,4S,5S)-1-ethyl-2,5-dimethyl-4-phenylpiperidin-4-ol.
What is the SMILES notation for (2R,4S,5S)-1-ethyl-2,5-dimethyl-4-phenylpiperidin-4-ol?
The canonical SMILES for (2R,4S,5S)-1-ethyl-2,5-dimethyl-4-phenylpiperidin-4-ol is CCN1C[C@H](C)[C@](O)(c2ccccc2)C[C@H]1C.
What is the InChIKey of (2R,4S,5S)-1-ethyl-2,5-dimethyl-4-phenylpiperidin-4-ol?
The InChIKey is XLCYCZFQMQVQNF-GUTXKFCHSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-16-11-12(2)15(17,10-13(16)3)14-8-6-5-7-9-14/h5-9,12-13,17H,4,10-11H2,1-3H3/t12-,13+,15-/m0/s1.
What are the key properties of (2R,4S,5S)-1-ethyl-2,5-dimethyl-4-phenylpiperidin-4-ol?
(2R,4S,5S)-1-ethyl-2,5-dimethyl-4-phenylpiperidin-4-ol has a molecular weight of 233.36 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-1-ethyl-2,5-dimethyl-4-phenylpiperidin-4-ol is sourced from PubChem (CID 7079870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).