(1R,2S,3R)-3-(4-phenylpiperidin-1-yl)cyclohexane-1,2-diol

C17H25NO2 — CID 15925900

IUPAC(1R,2S,3R)-3-(4-phenylpiperidin-1-yl)cyclohexane-1,2-diol
SMILESO[C@@H]1[C@H](O)CCC[C@H]1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c19-16-8-4-7-15(17(16)20)18-11-9-14(10-12-18)13-5-2-1-3-6-13/h1-3,5-6,14-17,19-20H,4,7-12H2/t15-,16-,17+/m1/s1
InChIKeyCPFZIDAWUZVSDF-ZACQAIPSSA-N
MW275.39 g/mol
LogP2.14
Rot. Bonds2

About (1R,2S,3R)-3-(4-phenylpiperidin-1-yl)cyclohexane-1,2-diol

(1R,2S,3R)-3-(4-phenylpiperidin-1-yl)cyclohexane-1,2-diol (PubChem CID 15925900) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (1R,2S,3R)-3-(4-phenylpiperidin-1-yl)cyclohexane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R)-3-(4-phenylpiperidin-1-yl)cyclohexane-1,2-diol
PubChem CID15925900
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(1R,2S,3R)-3-(4-phenylpiperidin-1-yl)cyclohexane-1,2-diol
SMILESO[C@@H]1[C@H](O)CCC[C@H]1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c19-16-8-4-7-15(17(16)20)18-11-9-14(10-12-18)13-5-2-1-3-6-13/h1-3,5-6,14-17,19-20H,4,7-12H2/t15-,16-,17+/m1/s1
InChIKeyCPFZIDAWUZVSDF-ZACQAIPSSA-N
XLogP2.14
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R)-3-(4-phenylpiperidin-1-yl)cyclohexane-1,2-diol?
The IUPAC name of (1R,2S,3R)-3-(4-phenylpiperidin-1-yl)cyclohexane-1,2-diol (CID 15925900) is (1R,2S,3R)-3-(4-phenylpiperidin-1-yl)cyclohexane-1,2-diol.
What is the SMILES notation for (1R,2S,3R)-3-(4-phenylpiperidin-1-yl)cyclohexane-1,2-diol?
The canonical SMILES for (1R,2S,3R)-3-(4-phenylpiperidin-1-yl)cyclohexane-1,2-diol is O[C@@H]1[C@H](O)CCC[C@H]1N1CCC(c2ccccc2)CC1.
What is the InChIKey of (1R,2S,3R)-3-(4-phenylpiperidin-1-yl)cyclohexane-1,2-diol?
The InChIKey is CPFZIDAWUZVSDF-ZACQAIPSSA-N. The full InChI is InChI=1S/C17H25NO2/c19-16-8-4-7-15(17(16)20)18-11-9-14(10-12-18)13-5-2-1-3-6-13/h1-3,5-6,14-17,19-20H,4,7-12H2/t15-,16-,17+/m1/s1.
What are the key properties of (1R,2S,3R)-3-(4-phenylpiperidin-1-yl)cyclohexane-1,2-diol?
(1R,2S,3R)-3-(4-phenylpiperidin-1-yl)cyclohexane-1,2-diol has a molecular weight of 275.39 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R)-3-(4-phenylpiperidin-1-yl)cyclohexane-1,2-diol is sourced from PubChem (CID 15925900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).