(1S,2S,6R)-2-[5-(3-fluorophenyl)triazol-1-yl]-6-methylcyclohexan-1-ol

C15H18FN3O — CID 166831993

IUPAC(1S,2S,6R)-2-[5-(3-fluorophenyl)triazol-1-yl]-6-methylcyclohexan-1-ol
SMILESC[C@@H]1CCC[C@H](n2nncc2-c2cccc(F)c2)[C@H]1O
InChIInChI=1S/C15H18FN3O/c1-10-4-2-7-13(15(10)20)19-14(9-17-18-19)11-5-3-6-12(16)8-11/h3,5-6,8-10,13,15,20H,2,4,7H2,1H3/t10-,13+,15+/m1/s1
InChIKeyRDPTURDVXGZAPF-DGFSRKRXSA-N
MW275.33 g/mol
LogP2.81
Rot. Bonds2

About (1S,2S,6R)-2-[5-(3-fluorophenyl)triazol-1-yl]-6-methylcyclohexan-1-ol

(1S,2S,6R)-2-[5-(3-fluorophenyl)triazol-1-yl]-6-methylcyclohexan-1-ol (PubChem CID 166831993) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is (1S,2S,6R)-2-[5-(3-fluorophenyl)triazol-1-yl]-6-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,6R)-2-[5-(3-fluorophenyl)triazol-1-yl]-6-methylcyclohexan-1-ol
PubChem CID166831993
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name(1S,2S,6R)-2-[5-(3-fluorophenyl)triazol-1-yl]-6-methylcyclohexan-1-ol
SMILESC[C@@H]1CCC[C@H](n2nncc2-c2cccc(F)c2)[C@H]1O
InChIInChI=1S/C15H18FN3O/c1-10-4-2-7-13(15(10)20)19-14(9-17-18-19)11-5-3-6-12(16)8-11/h3,5-6,8-10,13,15,20H,2,4,7H2,1H3/t10-,13+,15+/m1/s1
InChIKeyRDPTURDVXGZAPF-DGFSRKRXSA-N
XLogP2.81
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-1-hexyl-6-(4-methylphenyl)piperidin-3-ol
CID 46902512
(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
(3R,4R,6R)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenylpiperidin-3-ol
CID 46902506
(3S,4S,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-1-hexyl-6-phenylpiperidin-3-ol
CID 46902571
(3S,4S,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-1-hexyl-6-(4-methylphenyl)piperidin-3-ol
CID 46902579
(2R,4R,5R)-5-[4-(4-fluorophenyl)triazol-1-yl]-1-hexyl-2-phenylpiperidin-4-ol
CID 46902601
(2R,4S,5S)-5-[4-(4-fluorophenyl)triazol-1-yl]-1-hexyl-2-phenylpiperidin-4-ol
CID 46902702
(2R,4S,5S)-5-(4-cyclopropyltriazol-1-yl)-1-hexyl-2-phenylpiperidin-4-ol
CID 46902703
(2R,4S,5S)-1-(cyclohexylmethyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-phenylpiperidin-4-ol
CID 46902705
(2R,4S,5S)-5-[4-(4-fluorophenyl)triazol-1-yl]-1-hexyl-2-(4-methylphenyl)piperidin-4-ol
CID 46902711
(2R,4S,5S)-1-(cyclohexylmethyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-(4-methylphenyl)piperidin-4-ol
CID 46902714

Frequently Asked Questions

What is the IUPAC name of (1S,2S,6R)-2-[5-(3-fluorophenyl)triazol-1-yl]-6-methylcyclohexan-1-ol?
The IUPAC name of (1S,2S,6R)-2-[5-(3-fluorophenyl)triazol-1-yl]-6-methylcyclohexan-1-ol (CID 166831993) is (1S,2S,6R)-2-[5-(3-fluorophenyl)triazol-1-yl]-6-methylcyclohexan-1-ol.
What is the SMILES notation for (1S,2S,6R)-2-[5-(3-fluorophenyl)triazol-1-yl]-6-methylcyclohexan-1-ol?
The canonical SMILES for (1S,2S,6R)-2-[5-(3-fluorophenyl)triazol-1-yl]-6-methylcyclohexan-1-ol is C[C@@H]1CCC[C@H](n2nncc2-c2cccc(F)c2)[C@H]1O.
What is the InChIKey of (1S,2S,6R)-2-[5-(3-fluorophenyl)triazol-1-yl]-6-methylcyclohexan-1-ol?
The InChIKey is RDPTURDVXGZAPF-DGFSRKRXSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-10-4-2-7-13(15(10)20)19-14(9-17-18-19)11-5-3-6-12(16)8-11/h3,5-6,8-10,13,15,20H,2,4,7H2,1H3/t10-,13+,15+/m1/s1.
What are the key properties of (1S,2S,6R)-2-[5-(3-fluorophenyl)triazol-1-yl]-6-methylcyclohexan-1-ol?
(1S,2S,6R)-2-[5-(3-fluorophenyl)triazol-1-yl]-6-methylcyclohexan-1-ol has a molecular weight of 275.33 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6R)-2-[5-(3-fluorophenyl)triazol-1-yl]-6-methylcyclohexan-1-ol is sourced from PubChem (CID 166831993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).