(2R,3S,5S,6S)-4-benzyl-1,3,5-trimethyl-2,6-diphenylpiperidin-4-ol

C27H31NO — CID 7358357

IUPAC(2R,3S,5S,6S)-4-benzyl-1,3,5-trimethyl-2,6-diphenylpiperidin-4-ol
SMILESC[C@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@H](C)C1(O)Cc1ccccc1
InChIInChI=1S/C27H31NO/c1-20-25(23-15-9-5-10-16-23)28(3)26(24-17-11-6-12-18-24)21(2)27(20,29)19-22-13-7-4-8-14-22/h4-18,20-21,25-26,29H,19H2,1-3H3/t20-,21-,25-,26+,27?/m0/s1
InChIKeyXYXSWNLJRUZOJN-CYTDPQRLSA-N
MW385.55 g/mol
LogP5.66
Rot. Bonds4

About (2R,3S,5S,6S)-4-benzyl-1,3,5-trimethyl-2,6-diphenylpiperidin-4-ol

(2R,3S,5S,6S)-4-benzyl-1,3,5-trimethyl-2,6-diphenylpiperidin-4-ol (PubChem CID 7358357) has the molecular formula C27H31NO and a molecular weight of 385.55 g/mol. Its IUPAC name is (2R,3S,5S,6S)-4-benzyl-1,3,5-trimethyl-2,6-diphenylpiperidin-4-ol.

Molecular Properties

Compound Name(2R,3S,5S,6S)-4-benzyl-1,3,5-trimethyl-2,6-diphenylpiperidin-4-ol
PubChem CID7358357
Molecular FormulaC27H31NO
Molecular Weight385.55 g/mol
Exact Mass385.24
IUPAC Name(2R,3S,5S,6S)-4-benzyl-1,3,5-trimethyl-2,6-diphenylpiperidin-4-ol
SMILESC[C@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@H](C)C1(O)Cc1ccccc1
InChIInChI=1S/C27H31NO/c1-20-25(23-15-9-5-10-16-23)28(3)26(24-17-11-6-12-18-24)21(2)27(20,29)19-22-13-7-4-8-14-22/h4-18,20-21,25-26,29H,19H2,1-3H3/t20-,21-,25-,26+,27?/m0/s1
InChIKeyXYXSWNLJRUZOJN-CYTDPQRLSA-N
XLogP5.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S,6S)-4-benzyl-1,3,5-trimethyl-2,6-diphenylpiperidin-4-ol?
The IUPAC name of (2R,3S,5S,6S)-4-benzyl-1,3,5-trimethyl-2,6-diphenylpiperidin-4-ol (CID 7358357) is (2R,3S,5S,6S)-4-benzyl-1,3,5-trimethyl-2,6-diphenylpiperidin-4-ol.
What is the SMILES notation for (2R,3S,5S,6S)-4-benzyl-1,3,5-trimethyl-2,6-diphenylpiperidin-4-ol?
The canonical SMILES for (2R,3S,5S,6S)-4-benzyl-1,3,5-trimethyl-2,6-diphenylpiperidin-4-ol is C[C@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@H](C)C1(O)Cc1ccccc1.
What is the InChIKey of (2R,3S,5S,6S)-4-benzyl-1,3,5-trimethyl-2,6-diphenylpiperidin-4-ol?
The InChIKey is XYXSWNLJRUZOJN-CYTDPQRLSA-N. The full InChI is InChI=1S/C27H31NO/c1-20-25(23-15-9-5-10-16-23)28(3)26(24-17-11-6-12-18-24)21(2)27(20,29)19-22-13-7-4-8-14-22/h4-18,20-21,25-26,29H,19H2,1-3H3/t20-,21-,25-,26+,27?/m0/s1.
What are the key properties of (2R,3S,5S,6S)-4-benzyl-1,3,5-trimethyl-2,6-diphenylpiperidin-4-ol?
(2R,3S,5S,6S)-4-benzyl-1,3,5-trimethyl-2,6-diphenylpiperidin-4-ol has a molecular weight of 385.55 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S,6S)-4-benzyl-1,3,5-trimethyl-2,6-diphenylpiperidin-4-ol is sourced from PubChem (CID 7358357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).