(2S,6S)-2-[1-(2-methoxyethyl)triazol-4-yl]-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol

C18H23F3N4O2 — CID 168826674

IUPAC(2S,6S)-2-[1-(2-methoxyethyl)triazol-4-yl]-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCOCCn1cc([C@@H]2CC(O)(c3ccc(C(F)(F)F)cc3)C[C@H](C)N2)nn1
InChIInChI=1S/C18H23F3N4O2/c1-12-9-17(26,13-3-5-14(6-4-13)18(19,20)21)10-15(22-12)16-11-25(24-23-16)7-8-27-2/h3-6,11-12,15,22,26H,7-10H2,1-2H3/t12-,15-,17?/m0/s1
InChIKeyAODVTRHIJJWPDD-BOFKDWQUSA-N
MW384.40 g/mol
LogP2.64
Rot. Bonds5

About (2S,6S)-2-[1-(2-methoxyethyl)triazol-4-yl]-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol

(2S,6S)-2-[1-(2-methoxyethyl)triazol-4-yl]-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 168826674) has the molecular formula C18H23F3N4O2 and a molecular weight of 384.40 g/mol. Its IUPAC name is (2S,6S)-2-[1-(2-methoxyethyl)triazol-4-yl]-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name(2S,6S)-2-[1-(2-methoxyethyl)triazol-4-yl]-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID168826674
Molecular FormulaC18H23F3N4O2
Molecular Weight384.40 g/mol
Exact Mass384.18
IUPAC Name(2S,6S)-2-[1-(2-methoxyethyl)triazol-4-yl]-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCOCCn1cc([C@@H]2CC(O)(c3ccc(C(F)(F)F)cc3)C[C@H](C)N2)nn1
InChIInChI=1S/C18H23F3N4O2/c1-12-9-17(26,13-3-5-14(6-4-13)18(19,20)21)10-15(22-12)16-11-25(24-23-16)7-8-27-2/h3-6,11-12,15,22,26H,7-10H2,1-2H3/t12-,15-,17?/m0/s1
InChIKeyAODVTRHIJJWPDD-BOFKDWQUSA-N
XLogP2.64
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-[1-(2-methoxyethyl)triazol-4-yl]-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of (2S,6S)-2-[1-(2-methoxyethyl)triazol-4-yl]-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol (CID 168826674) is (2S,6S)-2-[1-(2-methoxyethyl)triazol-4-yl]-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for (2S,6S)-2-[1-(2-methoxyethyl)triazol-4-yl]-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for (2S,6S)-2-[1-(2-methoxyethyl)triazol-4-yl]-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol is COCCn1cc([C@@H]2CC(O)(c3ccc(C(F)(F)F)cc3)C[C@H](C)N2)nn1.
What is the InChIKey of (2S,6S)-2-[1-(2-methoxyethyl)triazol-4-yl]-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is AODVTRHIJJWPDD-BOFKDWQUSA-N. The full InChI is InChI=1S/C18H23F3N4O2/c1-12-9-17(26,13-3-5-14(6-4-13)18(19,20)21)10-15(22-12)16-11-25(24-23-16)7-8-27-2/h3-6,11-12,15,22,26H,7-10H2,1-2H3/t12-,15-,17?/m0/s1.
What are the key properties of (2S,6S)-2-[1-(2-methoxyethyl)triazol-4-yl]-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
(2S,6S)-2-[1-(2-methoxyethyl)triazol-4-yl]-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 384.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-[1-(2-methoxyethyl)triazol-4-yl]-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 168826674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).