[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone

C17H20F3NO2 — CID 71865133

IUPAC[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone
SMILESCc1ccccc1C1CC1C(=O)N1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C17H20F3NO2/c1-11-5-2-3-6-12(11)13-9-14(13)15(22)21-8-4-7-16(23,10-21)17(18,19)20/h2-3,5-6,13-14,23H,4,7-10H2,1H3
InChIKeyCZNRUKIFPYFEBW-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.01
Rot. Bonds2

About [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone

[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone (PubChem CID 71865133) has the molecular formula C17H20F3NO2 and a molecular weight of 327.35 g/mol. Its IUPAC name is [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone
PubChem CID71865133
Molecular FormulaC17H20F3NO2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone
SMILESCc1ccccc1C1CC1C(=O)N1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C17H20F3NO2/c1-11-5-2-3-6-12(11)13-9-14(13)15(22)21-8-4-7-16(23,10-21)17(18,19)20/h2-3,5-6,13-14,23H,4,7-10H2,1H3
InChIKeyCZNRUKIFPYFEBW-UHFFFAOYSA-N
XLogP3.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone?
The IUPAC name of [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone (CID 71865133) is [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone.
What is the SMILES notation for [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone?
The canonical SMILES for [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone is Cc1ccccc1C1CC1C(=O)N1CCCC(O)(C(F)(F)F)C1.
What is the InChIKey of [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone?
The InChIKey is CZNRUKIFPYFEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO2/c1-11-5-2-3-6-12(11)13-9-14(13)15(22)21-8-4-7-16(23,10-21)17(18,19)20/h2-3,5-6,13-14,23H,4,7-10H2,1H3.
What are the key properties of [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone?
[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone has a molecular weight of 327.35 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone is sourced from PubChem (CID 71865133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).