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

C13H19NO — CID 100815418

IUPAC(2S,4R,5S)-2,5-dimethyl-4-phenylpiperidin-4-ol
SMILESC[C@H]1C[C@](O)(c2ccccc2)[C@@H](C)CN1
InChIInChI=1S/C13H19NO/c1-10-9-14-11(2)8-13(10,15)12-6-4-3-5-7-12/h3-7,10-11,14-15H,8-9H2,1-2H3/t10-,11-,13+/m0/s1
InChIKeyQBPQEQQKSQOQBI-GMXVVIOVSA-N
MW205.30 g/mol
LogP1.89
Rot. Bonds1

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

(2S,4R,5S)-2,5-dimethyl-4-phenylpiperidin-4-ol (PubChem CID 100815418) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2S,4R,5S)-2,5-dimethyl-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,4R,5S)-2,5-dimethyl-4-phenylpiperidin-4-ol
PubChem CID100815418
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2S,4R,5S)-2,5-dimethyl-4-phenylpiperidin-4-ol
SMILESC[C@H]1C[C@](O)(c2ccccc2)[C@@H](C)CN1
InChIInChI=1S/C13H19NO/c1-10-9-14-11(2)8-13(10,15)12-6-4-3-5-7-12/h3-7,10-11,14-15H,8-9H2,1-2H3/t10-,11-,13+/m0/s1
InChIKeyQBPQEQQKSQOQBI-GMXVVIOVSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol
CID 124672757
cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol
CID 12611391
trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol
CID 124681224
(2R,4S)-2,4-dimethyl-4-phenylpyrrolidine
CID 102398914
(2R,4S,5S)-1-ethyl-2,5-dimethyl-4-phenylpiperidin-4-ol
CID 7079870
(2R,4S,5S)-2,5-dimethyl-4-phenyl-1-propan-2-ylpiperidin-1-ium-4-ol
CID 7208630
cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316
(1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol
CID 124803011
(1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol
CID 102394806
(1S,2R,4R)-2,4-dimethyl-1-phenylcyclohexan-1-ol
CID 124508976
(3aS,4S,7aS)-4,7,7-triphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindol-4-ol
CID 15289539
(1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol
CID 135044945

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5S)-2,5-dimethyl-4-phenylpiperidin-4-ol?
The IUPAC name of (2S,4R,5S)-2,5-dimethyl-4-phenylpiperidin-4-ol (CID 100815418) is (2S,4R,5S)-2,5-dimethyl-4-phenylpiperidin-4-ol.
What is the SMILES notation for (2S,4R,5S)-2,5-dimethyl-4-phenylpiperidin-4-ol?
The canonical SMILES for (2S,4R,5S)-2,5-dimethyl-4-phenylpiperidin-4-ol is C[C@H]1C[C@](O)(c2ccccc2)[C@@H](C)CN1.
What is the InChIKey of (2S,4R,5S)-2,5-dimethyl-4-phenylpiperidin-4-ol?
The InChIKey is QBPQEQQKSQOQBI-GMXVVIOVSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-9-14-11(2)8-13(10,15)12-6-4-3-5-7-12/h3-7,10-11,14-15H,8-9H2,1-2H3/t10-,11-,13+/m0/s1.
What are the key properties of (2S,4R,5S)-2,5-dimethyl-4-phenylpiperidin-4-ol?
(2S,4R,5S)-2,5-dimethyl-4-phenylpiperidin-4-ol has a molecular weight of 205.30 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5S)-2,5-dimethyl-4-phenylpiperidin-4-ol is sourced from PubChem (CID 100815418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).