(3R,4R,6R)-6-(4-chlorophenyl)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-3-ol

C26H30ClFN4O — CID 46902523

IUPAC(3R,4R,6R)-6-(4-chlorophenyl)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-3-ol
SMILESO[C@@H]1CN(CC2CCCCC2)[C@@H](c2ccc(Cl)cc2)C[C@H]1n1cc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C26H30ClFN4O/c27-21-10-6-20(7-11-21)24-14-25(26(33)17-31(24)15-18-4-2-1-3-5-18)32-16-23(29-30-32)19-8-12-22(28)13-9-19/h6-13,16,18,24-26,33H,1-5,14-15,17H2/t24-,25-,26-/m1/s1
InChIKeyJVBLIVCRQRFAAP-TWJOJJKGSA-N
MW469.00 g/mol
LogP5.67
Rot. Bonds5

About (3R,4R,6R)-6-(4-chlorophenyl)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-3-ol

(3R,4R,6R)-6-(4-chlorophenyl)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-3-ol (PubChem CID 46902523) has the molecular formula C26H30ClFN4O and a molecular weight of 469.00 g/mol. Its IUPAC name is (3R,4R,6R)-6-(4-chlorophenyl)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R,6R)-6-(4-chlorophenyl)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-3-ol
PubChem CID46902523
Molecular FormulaC26H30ClFN4O
Molecular Weight469.00 g/mol
Exact Mass468.21
IUPAC Name(3R,4R,6R)-6-(4-chlorophenyl)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-3-ol
SMILESO[C@@H]1CN(CC2CCCCC2)[C@@H](c2ccc(Cl)cc2)C[C@H]1n1cc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C26H30ClFN4O/c27-21-10-6-20(7-11-21)24-14-25(26(33)17-31(24)15-18-4-2-1-3-5-18)32-16-23(29-30-32)19-8-12-22(28)13-9-19/h6-13,16,18,24-26,33H,1-5,14-15,17H2/t24-,25-,26-/m1/s1
InChIKeyJVBLIVCRQRFAAP-TWJOJJKGSA-N
XLogP5.67
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.00
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4R,6R)-6-(4-chlorophenyl)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-3-ol with MolForge

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Related Compounds

(3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-phenylpiperidin-3-ol
CID 46902507
(3R,4R,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-1-hexyl-6-(4-methylphenyl)piperidin-3-ol
CID 46902512
cyclohexyl-[(2R,4R,5R)-4-[4-(4-fluorophenyl)triazol-1-yl]-5-hydroxy-2-phenylpiperidin-1-yl]methanone
CID 46903052
cyclohexyl-[(2R,4R,5R)-4-[4-(4-fluorophenyl)triazol-1-yl]-5-hydroxy-2-(4-methylphenyl)piperidin-1-yl]methanone
CID 46903061
1-[(2R,4S,5S)-2-(4-chlorophenyl)-4-[4-(4-fluorophenyl)triazol-1-yl]-5-hydroxypiperidin-1-yl]hexan-1-one
CID 46903166
US20230295182, Example 1.12
CID 169429017
(3R,4R,6R)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-(4-methylphenyl)piperidin-3-ol
CID 46902515
(3S,4S,6R)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-(4-methylphenyl)piperidin-3-ol
CID 46902582
(2R,4R,5R)-2-(4-chlorophenyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-1-(thiophen-2-ylmethyl)piperidin-4-ol
CID 46902613
cyclohexyl-[(2R,4S,5S)-4-[4-(4-fluorophenyl)triazol-1-yl]-5-hydroxy-2-phenylpiperidin-1-yl]methanone
CID 46903153
[(2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-4-hydroxypiperidin-1-yl]-cyclohexylmethanone
CID 46903201
(3R,4R,6R)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenylpiperidin-3-ol
CID 46902506

Frequently Asked Questions

What is the IUPAC name of (3R,4R,6R)-6-(4-chlorophenyl)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-3-ol?
The IUPAC name of (3R,4R,6R)-6-(4-chlorophenyl)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-3-ol (CID 46902523) is (3R,4R,6R)-6-(4-chlorophenyl)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-3-ol.
What is the SMILES notation for (3R,4R,6R)-6-(4-chlorophenyl)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-3-ol?
The canonical SMILES for (3R,4R,6R)-6-(4-chlorophenyl)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-3-ol is O[C@@H]1CN(CC2CCCCC2)[C@@H](c2ccc(Cl)cc2)C[C@H]1n1cc(-c2ccc(F)cc2)nn1.
What is the InChIKey of (3R,4R,6R)-6-(4-chlorophenyl)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-3-ol?
The InChIKey is JVBLIVCRQRFAAP-TWJOJJKGSA-N. The full InChI is InChI=1S/C26H30ClFN4O/c27-21-10-6-20(7-11-21)24-14-25(26(33)17-31(24)15-18-4-2-1-3-5-18)32-16-23(29-30-32)19-8-12-22(28)13-9-19/h6-13,16,18,24-26,33H,1-5,14-15,17H2/t24-,25-,26-/m1/s1.
What are the key properties of (3R,4R,6R)-6-(4-chlorophenyl)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-3-ol?
(3R,4R,6R)-6-(4-chlorophenyl)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-3-ol has a molecular weight of 469.00 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6R)-6-(4-chlorophenyl)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-3-ol is sourced from PubChem (CID 46902523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).