2-[2-methyl-4-(trifluoromethyl)phenyl]-1-piperidin-2-ylpropan-2-ol

C16H22F3NO — CID 102751951

IUPAC2-[2-methyl-4-(trifluoromethyl)phenyl]-1-piperidin-2-ylpropan-2-ol
SMILESCc1cc(C(F)(F)F)ccc1C(C)(O)CC1CCCCN1
InChIInChI=1S/C16H22F3NO/c1-11-9-12(16(17,18)19)6-7-14(11)15(2,21)10-13-5-3-4-8-20-13/h6-7,9,13,20-21H,3-5,8,10H2,1-2H3
InChIKeyQOGUONQQTLFPAI-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.75
Rot. Bonds3

About 2-[2-methyl-4-(trifluoromethyl)phenyl]-1-piperidin-2-ylpropan-2-ol

2-[2-methyl-4-(trifluoromethyl)phenyl]-1-piperidin-2-ylpropan-2-ol (PubChem CID 102751951) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[2-methyl-4-(trifluoromethyl)phenyl]-1-piperidin-2-ylpropan-2-ol.

Molecular Properties

Compound Name2-[2-methyl-4-(trifluoromethyl)phenyl]-1-piperidin-2-ylpropan-2-ol
PubChem CID102751951
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name2-[2-methyl-4-(trifluoromethyl)phenyl]-1-piperidin-2-ylpropan-2-ol
SMILESCc1cc(C(F)(F)F)ccc1C(C)(O)CC1CCCCN1
InChIInChI=1S/C16H22F3NO/c1-11-9-12(16(17,18)19)6-7-14(11)15(2,21)10-13-5-3-4-8-20-13/h6-7,9,13,20-21H,3-5,8,10H2,1-2H3
InChIKeyQOGUONQQTLFPAI-UHFFFAOYSA-N
XLogP3.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-methylphenyl)-1-piperidin-2-ylpropan-2-ol
CID 107559678
1-(4-fluoro-2-methylphenyl)-2-methyl-3-piperidin-2-ylpropan-2-ol
CID 114347033
2-chloro-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)aniline
CID 106633355
2-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-ol
CID 102751228
2-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)phenol
CID 117364506
2-[2-fluoro-3-(4-fluoro-2-methylphenyl)-2-methylpropyl]piperidine
CID 114350316
2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840108
[2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol
CID 106634718
2-(3-bromo-2,6-difluorophenyl)-1-piperidin-2-ylpropan-2-ol
CID 106941489
2-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]piperidine
CID 116840282
2-(3-chlorothiophen-2-yl)-1-piperidin-2-ylpropan-2-ol
CID 107359181
2-[2-fluoro-2-(2-fluoro-4,6-dimethylphenyl)propyl]piperidine
CID 106882953

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(trifluoromethyl)phenyl]-1-piperidin-2-ylpropan-2-ol?
The IUPAC name of 2-[2-methyl-4-(trifluoromethyl)phenyl]-1-piperidin-2-ylpropan-2-ol (CID 102751951) is 2-[2-methyl-4-(trifluoromethyl)phenyl]-1-piperidin-2-ylpropan-2-ol.
What is the SMILES notation for 2-[2-methyl-4-(trifluoromethyl)phenyl]-1-piperidin-2-ylpropan-2-ol?
The canonical SMILES for 2-[2-methyl-4-(trifluoromethyl)phenyl]-1-piperidin-2-ylpropan-2-ol is Cc1cc(C(F)(F)F)ccc1C(C)(O)CC1CCCCN1.
What is the InChIKey of 2-[2-methyl-4-(trifluoromethyl)phenyl]-1-piperidin-2-ylpropan-2-ol?
The InChIKey is QOGUONQQTLFPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-11-9-12(16(17,18)19)6-7-14(11)15(2,21)10-13-5-3-4-8-20-13/h6-7,9,13,20-21H,3-5,8,10H2,1-2H3.
What are the key properties of 2-[2-methyl-4-(trifluoromethyl)phenyl]-1-piperidin-2-ylpropan-2-ol?
2-[2-methyl-4-(trifluoromethyl)phenyl]-1-piperidin-2-ylpropan-2-ol has a molecular weight of 301.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(trifluoromethyl)phenyl]-1-piperidin-2-ylpropan-2-ol is sourced from PubChem (CID 102751951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).