[2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol

C14H18F3NO — CID 106634718

IUPAC[2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol
SMILESCc1cc(C(F)(F)F)ccc1C(O)C1CCCCN1
InChIInChI=1S/C14H18F3NO/c1-9-8-10(14(15,16)17)5-6-11(9)13(19)12-4-2-3-7-18-12/h5-6,8,12-13,18-19H,2-4,7H2,1H3
InChIKeyHKCGCLQXLLTADU-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.19
Rot. Bonds2

About [2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol

[2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol (PubChem CID 106634718) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is [2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol.

Molecular Properties

Compound Name[2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol
PubChem CID106634718
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name[2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol
SMILESCc1cc(C(F)(F)F)ccc1C(O)C1CCCCN1
InChIInChI=1S/C14H18F3NO/c1-9-8-10(14(15,16)17)5-6-11(9)13(19)12-4-2-3-7-18-12/h5-6,8,12-13,18-19H,2-4,7H2,1H3
InChIKeyHKCGCLQXLLTADU-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-bicyclo[4.1.0]heptanyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102759206
cyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751758
piperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol
CID 23467209
(2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654197
(R)-[(2R)-piperidin-2-yl]-[2-[4-(trifluoromethyl)phenyl]quinolin-4-yl]methanol;(S)-[(2S)-piperidin-2-yl]-[2-[4-(trifluoromethyl)phenyl]quinolin-4-yl]methanol
CID 159870568
piperidin-2-yl-[8-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]quinolin-4-yl]methanol
CID 10321725
2-[1-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 117051326
(S)-piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 101053418
(3,5-dimethylcyclohex-3-en-1-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 103277723
cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753522
cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754830
(2-methoxy-3,5-dimethylphenyl)-piperidin-2-ylmethanol
CID 82341661

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol?
The IUPAC name of [2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol (CID 106634718) is [2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol.
What is the SMILES notation for [2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol?
The canonical SMILES for [2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol is Cc1cc(C(F)(F)F)ccc1C(O)C1CCCCN1.
What is the InChIKey of [2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol?
The InChIKey is HKCGCLQXLLTADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-9-8-10(14(15,16)17)5-6-11(9)13(19)12-4-2-3-7-18-12/h5-6,8,12-13,18-19H,2-4,7H2,1H3.
What are the key properties of [2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol?
[2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol has a molecular weight of 273.30 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol is sourced from PubChem (CID 106634718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).