4-[[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]methyl]-1-methylpiperidin-4-ol

C15H20F4N2O — CID 84590178

IUPAC4-[[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]methyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(CNCc2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H20F4N2O/c1-21-6-4-14(22,5-7-21)10-20-9-11-2-3-13(16)12(8-11)15(17,18)19/h2-3,8,20,22H,4-7,9-10H2,1H3
InChIKeyZYSRDEFQIDRCQA-UHFFFAOYSA-N
MW320.33 g/mol
LogP2.39
Rot. Bonds4

About 4-[[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]methyl]-1-methylpiperidin-4-ol

4-[[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]methyl]-1-methylpiperidin-4-ol (PubChem CID 84590178) has the molecular formula C15H20F4N2O and a molecular weight of 320.33 g/mol. Its IUPAC name is 4-[[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]methyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]methyl]-1-methylpiperidin-4-ol
PubChem CID84590178
Molecular FormulaC15H20F4N2O
Molecular Weight320.33 g/mol
Exact Mass320.15
IUPAC Name4-[[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]methyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(CNCc2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H20F4N2O/c1-21-6-4-14(22,5-7-21)10-20-9-11-2-3-13(16)12(8-11)15(17,18)19/h2-3,8,20,22H,4-7,9-10H2,1H3
InChIKeyZYSRDEFQIDRCQA-UHFFFAOYSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Aminomethyl)-1-benzylpiperidin-4-ol
CID 10421026
1-[4-[[[3-(Trifluoromethyl)phenyl]methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 53555332
1-[[3-(2-Aminoethyl)phenyl]methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 70716254
1-[[3-(Trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 763220
1-Ethyl-3-[[(2-fluorophenyl)methylamino]methyl]piperidin-3-ol
CID 56730047
1-(2,3-Difluorobenzyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 70727854
(3R*,4S*)-1-[2-fluoro-4-(trifluoromethyl)benzyl]-3,4-dimethylpiperidin-4-ol
CID 70762620
(3R*,4R*)-4-cyclopropyl-1-[2-fluoro-5-(trifluoromethyl)benzyl]-3-methylpiperidin-4-ol
CID 70779842
1-[2-Fluoro-4-(trifluoromethyl)benzyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 70787464
1-Ethyl-3-[[(2-fluorophenyl)methyl-methylamino]methyl]piperidin-3-ol
CID 71683459
4-[[(4-Fluoro-3-methylphenyl)methylamino]methyl]oxan-4-ol
CID 72022737
4-[[[4-Fluoro-3-(trifluoromethyl)phenyl]methylamino]methyl]thian-4-ol
CID 84590177

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]methyl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]methyl]-1-methylpiperidin-4-ol (CID 84590178) is 4-[[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]methyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]methyl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]methyl]-1-methylpiperidin-4-ol is CN1CCC(O)(CNCc2ccc(F)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]methyl]-1-methylpiperidin-4-ol?
The InChIKey is ZYSRDEFQIDRCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2O/c1-21-6-4-14(22,5-7-21)10-20-9-11-2-3-13(16)12(8-11)15(17,18)19/h2-3,8,20,22H,4-7,9-10H2,1H3.
What are the key properties of 4-[[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]methyl]-1-methylpiperidin-4-ol?
4-[[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]methyl]-1-methylpiperidin-4-ol has a molecular weight of 320.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]methyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 84590178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).