(1R,2R,5R)-5-[(4-fluorophenyl)methoxy]-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol

C24H30FNO2 — CID 44564272

IUPAC(1R,2R,5R)-5-[(4-fluorophenyl)methoxy]-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
SMILESO[C@@H]1C[C@H](OCc2ccc(F)cc2)CC[C@H]1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C24H30FNO2/c25-21-8-6-18(7-9-21)17-28-22-10-11-23(24(27)16-22)26-14-12-20(13-15-26)19-4-2-1-3-5-19/h1-9,20,22-24,27H,10-17H2/t22-,23-,24-/m1/s1
InChIKeyWCHFHKCWWZOPBX-WXFUMESZSA-N
MW383.51 g/mol
LogP4.50
Rot. Bonds5

About (1R,2R,5R)-5-[(4-fluorophenyl)methoxy]-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol

(1R,2R,5R)-5-[(4-fluorophenyl)methoxy]-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol (PubChem CID 44564272) has the molecular formula C24H30FNO2 and a molecular weight of 383.51 g/mol. Its IUPAC name is (1R,2R,5R)-5-[(4-fluorophenyl)methoxy]-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,5R)-5-[(4-fluorophenyl)methoxy]-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
PubChem CID44564272
Molecular FormulaC24H30FNO2
Molecular Weight383.51 g/mol
Exact Mass383.23
IUPAC Name(1R,2R,5R)-5-[(4-fluorophenyl)methoxy]-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
SMILESO[C@@H]1C[C@H](OCc2ccc(F)cc2)CC[C@H]1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C24H30FNO2/c25-21-8-6-18(7-9-21)17-28-22-10-11-23(24(27)16-22)26-14-12-20(13-15-26)19-4-2-1-3-5-19/h1-9,20,22-24,27H,10-17H2/t22-,23-,24-/m1/s1
InChIKeyWCHFHKCWWZOPBX-WXFUMESZSA-N
XLogP4.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-5-[(4-fluorophenyl)methoxy]-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
The IUPAC name of (1R,2R,5R)-5-[(4-fluorophenyl)methoxy]-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol (CID 44564272) is (1R,2R,5R)-5-[(4-fluorophenyl)methoxy]-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for (1R,2R,5R)-5-[(4-fluorophenyl)methoxy]-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for (1R,2R,5R)-5-[(4-fluorophenyl)methoxy]-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol is O[C@@H]1C[C@H](OCc2ccc(F)cc2)CC[C@H]1N1CCC(c2ccccc2)CC1.
What is the InChIKey of (1R,2R,5R)-5-[(4-fluorophenyl)methoxy]-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
The InChIKey is WCHFHKCWWZOPBX-WXFUMESZSA-N. The full InChI is InChI=1S/C24H30FNO2/c25-21-8-6-18(7-9-21)17-28-22-10-11-23(24(27)16-22)26-14-12-20(13-15-26)19-4-2-1-3-5-19/h1-9,20,22-24,27H,10-17H2/t22-,23-,24-/m1/s1.
What are the key properties of (1R,2R,5R)-5-[(4-fluorophenyl)methoxy]-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
(1R,2R,5R)-5-[(4-fluorophenyl)methoxy]-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol has a molecular weight of 383.51 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-5-[(4-fluorophenyl)methoxy]-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 44564272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).