methanol;[4-(piperidin-4-ylmethyl)-3-(trifluoromethyl)phenyl]azanium

C14H22F3N2O+ — CID 162434887

IUPACmethanol;[4-(piperidin-4-ylmethyl)-3-(trifluoromethyl)phenyl]azanium
SMILESCO.[NH3+]c1ccc(CC2CCNCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2.CH4O/c14-13(15,16)12-8-11(17)2-1-10(12)7-9-3-5-18-6-4-9;1-2/h1-2,8-9,18H,3-7,17H2;2H,1H3/p+1
InChIKeyLVPYYZNXIFHNDJ-UHFFFAOYSA-O
MW291.34 g/mol
LogP1.73
Rot. Bonds2

About methanol;[4-(piperidin-4-ylmethyl)-3-(trifluoromethyl)phenyl]azanium

methanol;[4-(piperidin-4-ylmethyl)-3-(trifluoromethyl)phenyl]azanium (PubChem CID 162434887) has the molecular formula C14H22F3N2O+ and a molecular weight of 291.34 g/mol. Its IUPAC name is methanol;[4-(piperidin-4-ylmethyl)-3-(trifluoromethyl)phenyl]azanium.

Molecular Properties

Compound Namemethanol;[4-(piperidin-4-ylmethyl)-3-(trifluoromethyl)phenyl]azanium
PubChem CID162434887
Molecular FormulaC14H22F3N2O+
Molecular Weight291.34 g/mol
Exact Mass291.17
IUPAC Namemethanol;[4-(piperidin-4-ylmethyl)-3-(trifluoromethyl)phenyl]azanium
SMILESCO.[NH3+]c1ccc(CC2CCNCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2.CH4O/c14-13(15,16)12-8-11(17)2-1-10(12)7-9-3-5-18-6-4-9;1-2/h1-2,8-9,18H,3-7,17H2;2H,1H3/p+1
InChIKeyLVPYYZNXIFHNDJ-UHFFFAOYSA-O
XLogP1.73
TPSA59.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84806155
4-[[2,5-dimethoxy-3-(trifluoromethyl)phenyl]methyl]piperidine
CID 117488368
[4-(bromomethyl)-3-(trifluoromethyl)phenyl]azanium
CID 145201928
4-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine
CID 84806750
4-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine
CID 117377676
4-(piperidin-4-ylmethyl)-2-(trifluoromethyl)benzamide
CID 175939271
4-[[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]methyl]piperidine
CID 117476126
4-[(2,3,4-trimethylphenyl)methyl]piperidine
CID 116925401
2-methyl-4-(piperidin-4-ylmethyl)benzene-1,3-diol
CID 84787993
4-[[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]methyl]piperidine
CID 117455594
2-tert-butyl-4-chloro-6-(piperidin-4-ylmethyl)phenol
CID 117452826
4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786987

Frequently Asked Questions

What is the IUPAC name of methanol;[4-(piperidin-4-ylmethyl)-3-(trifluoromethyl)phenyl]azanium?
The IUPAC name of methanol;[4-(piperidin-4-ylmethyl)-3-(trifluoromethyl)phenyl]azanium (CID 162434887) is methanol;[4-(piperidin-4-ylmethyl)-3-(trifluoromethyl)phenyl]azanium.
What is the SMILES notation for methanol;[4-(piperidin-4-ylmethyl)-3-(trifluoromethyl)phenyl]azanium?
The canonical SMILES for methanol;[4-(piperidin-4-ylmethyl)-3-(trifluoromethyl)phenyl]azanium is CO.[NH3+]c1ccc(CC2CCNCC2)c(C(F)(F)F)c1.
What is the InChIKey of methanol;[4-(piperidin-4-ylmethyl)-3-(trifluoromethyl)phenyl]azanium?
The InChIKey is LVPYYZNXIFHNDJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H17F3N2.CH4O/c14-13(15,16)12-8-11(17)2-1-10(12)7-9-3-5-18-6-4-9;1-2/h1-2,8-9,18H,3-7,17H2;2H,1H3/p+1.
What are the key properties of methanol;[4-(piperidin-4-ylmethyl)-3-(trifluoromethyl)phenyl]azanium?
methanol;[4-(piperidin-4-ylmethyl)-3-(trifluoromethyl)phenyl]azanium has a molecular weight of 291.34 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;[4-(piperidin-4-ylmethyl)-3-(trifluoromethyl)phenyl]azanium is sourced from PubChem (CID 162434887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).