(2S,3S,4S,5S,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol

C21H27NO — CID 11895959

IUPAC(2S,3S,4S,5S,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol
SMILESCCC[C@@H]1[C@@H](O)[C@@H](C)[C@@H](c2ccccc2)N[C@@H]1c1ccccc1
InChIInChI=1S/C21H27NO/c1-3-10-18-20(17-13-8-5-9-14-17)22-19(15(2)21(18)23)16-11-6-4-7-12-16/h4-9,11-15,18-23H,3,10H2,1-2H3/t15-,18-,19-,20+,21-/m0/s1
InChIKeyGCUZTKRRUTYKPX-KJRRRBQDSA-N
MW309.45 g/mol
LogP4.49
Rot. Bonds4

About (2S,3S,4S,5S,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol

(2S,3S,4S,5S,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol (PubChem CID 11895959) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (2S,3S,4S,5S,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,3S,4S,5S,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol
PubChem CID11895959
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(2S,3S,4S,5S,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol
SMILESCCC[C@@H]1[C@@H](O)[C@@H](C)[C@@H](c2ccccc2)N[C@@H]1c1ccccc1
InChIInChI=1S/C21H27NO/c1-3-10-18-20(17-13-8-5-9-14-17)22-19(15(2)21(18)23)16-11-6-4-7-12-16/h4-9,11-15,18-23H,3,10H2,1-2H3/t15-,18-,19-,20+,21-/m0/s1
InChIKeyGCUZTKRRUTYKPX-KJRRRBQDSA-N
XLogP4.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol?
The IUPAC name of (2S,3S,4S,5S,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol (CID 11895959) is (2S,3S,4S,5S,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol.
What is the SMILES notation for (2S,3S,4S,5S,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol?
The canonical SMILES for (2S,3S,4S,5S,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol is CCC[C@@H]1[C@@H](O)[C@@H](C)[C@@H](c2ccccc2)N[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3S,4S,5S,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol?
The InChIKey is GCUZTKRRUTYKPX-KJRRRBQDSA-N. The full InChI is InChI=1S/C21H27NO/c1-3-10-18-20(17-13-8-5-9-14-17)22-19(15(2)21(18)23)16-11-6-4-7-12-16/h4-9,11-15,18-23H,3,10H2,1-2H3/t15-,18-,19-,20+,21-/m0/s1.
What are the key properties of (2S,3S,4S,5S,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol?
(2S,3S,4S,5S,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol has a molecular weight of 309.45 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol is sourced from PubChem (CID 11895959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).