4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-2-(trifluoromethyl)phenol

C15H21F3N2O — CID 82958502

IUPAC4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-2-(trifluoromethyl)phenol
SMILESCN1CCCC(N(C)Cc2ccc(O)c(C(F)(F)F)c2)C1
InChIInChI=1S/C15H21F3N2O/c1-19-7-3-4-12(10-19)20(2)9-11-5-6-14(21)13(8-11)15(16,17)18/h5-6,8,12,21H,3-4,7,9-10H2,1-2H3
InChIKeySNPVJJXEIZDRKH-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.94
Rot. Bonds3

About 4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-2-(trifluoromethyl)phenol

4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-2-(trifluoromethyl)phenol (PubChem CID 82958502) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-2-(trifluoromethyl)phenol
PubChem CID82958502
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-2-(trifluoromethyl)phenol
SMILESCN1CCCC(N(C)Cc2ccc(O)c(C(F)(F)F)c2)C1
InChIInChI=1S/C15H21F3N2O/c1-19-7-3-4-12(10-19)20(2)9-11-5-6-14(21)13(8-11)15(16,17)18/h5-6,8,12,21H,3-4,7,9-10H2,1-2H3
InChIKeySNPVJJXEIZDRKH-UHFFFAOYSA-N
XLogP2.94
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 81117134
4-[[methyl-(2-methylcyclohexyl)amino]methyl]-2-(trifluoromethyl)phenol
CID 82959398
N-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 55084699
N-benzyl-N,1-dimethylpiperidin-3-amine;ethane
CID 142272680
6-methyl-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]pyridin-3-ol
CID 82979829
N-[(3-bromo-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79705621
N-[(3-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 112646134
3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile
CID 62545532
4-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)phenol
CID 82977713
[4-methoxy-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]phenyl]methanol
CID 62545227
4-[(4-ethylazepan-1-yl)methyl]-2-(trifluoromethyl)phenol
CID 82965038
4-[(3-methoxypiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol
CID 102969250

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-2-(trifluoromethyl)phenol?
The IUPAC name of 4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-2-(trifluoromethyl)phenol (CID 82958502) is 4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-2-(trifluoromethyl)phenol.
What is the SMILES notation for 4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-2-(trifluoromethyl)phenol?
The canonical SMILES for 4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-2-(trifluoromethyl)phenol is CN1CCCC(N(C)Cc2ccc(O)c(C(F)(F)F)c2)C1.
What is the InChIKey of 4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-2-(trifluoromethyl)phenol?
The InChIKey is SNPVJJXEIZDRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-19-7-3-4-12(10-19)20(2)9-11-5-6-14(21)13(8-11)15(16,17)18/h5-6,8,12,21H,3-4,7,9-10H2,1-2H3.
What are the key properties of 4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-2-(trifluoromethyl)phenol?
4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-2-(trifluoromethyl)phenol has a molecular weight of 302.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-2-(trifluoromethyl)phenol is sourced from PubChem (CID 82958502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).