trans-(1R,2R)-2-(4,4-diphenylpiperidin-1-yl)cyclohexan-1-ol

C23H29NO — CID 122181169

IUPACtrans-(1R,2R)-2-(4,4-diphenylpiperidin-1-yl)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C23H29NO/c25-22-14-8-7-13-21(22)24-17-15-23(16-18-24,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21-22,25H,7-8,13-18H2/t21-,22-/m1/s1
InChIKeyFTZBYQIFOKIEAG-FGZHOGPDSA-N
MW335.49 g/mol
LogP4.37
Rot. Bonds3

About trans-(1R,2R)-2-(4,4-diphenylpiperidin-1-yl)cyclohexan-1-ol

trans-(1R,2R)-2-(4,4-diphenylpiperidin-1-yl)cyclohexan-1-ol (PubChem CID 122181169) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4,4-diphenylpiperidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4,4-diphenylpiperidin-1-yl)cyclohexan-1-ol
PubChem CID122181169
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Nametrans-(1R,2R)-2-(4,4-diphenylpiperidin-1-yl)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C23H29NO/c25-22-14-8-7-13-21(22)24-17-15-23(16-18-24,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21-22,25H,7-8,13-18H2/t21-,22-/m1/s1
InChIKeyFTZBYQIFOKIEAG-FGZHOGPDSA-N
XLogP4.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4,4-diphenylpiperidin-1-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(4,4-diphenylpiperidin-1-yl)cyclohexan-1-ol (CID 122181169) is trans-(1R,2R)-2-(4,4-diphenylpiperidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(4,4-diphenylpiperidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(4,4-diphenylpiperidin-1-yl)cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)(c2ccccc2)CC1.
What is the InChIKey of trans-(1R,2R)-2-(4,4-diphenylpiperidin-1-yl)cyclohexan-1-ol?
The InChIKey is FTZBYQIFOKIEAG-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H29NO/c25-22-14-8-7-13-21(22)24-17-15-23(16-18-24,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21-22,25H,7-8,13-18H2/t21-,22-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4,4-diphenylpiperidin-1-yl)cyclohexan-1-ol?
trans-(1R,2R)-2-(4,4-diphenylpiperidin-1-yl)cyclohexan-1-ol has a molecular weight of 335.49 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4,4-diphenylpiperidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 122181169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).