[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-3-yl]methanamine

C15H20F4N2 — CID 114960042

IUPAC[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC1CN
InChIInChI=1S/C15H20F4N2/c1-10-2-3-21(9-12(10)7-20)8-11-4-13(15(17,18)19)6-14(16)5-11/h4-6,10,12H,2-3,7-9,20H2,1H3
InChIKeyAUJZHAFBXCCIBY-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.26
Rot. Bonds3

About [1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-3-yl]methanamine

[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-3-yl]methanamine (PubChem CID 114960042) has the molecular formula C15H20F4N2 and a molecular weight of 304.33 g/mol. Its IUPAC name is [1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-3-yl]methanamine
PubChem CID114960042
Molecular FormulaC15H20F4N2
Molecular Weight304.33 g/mol
Exact Mass304.16
IUPAC Name[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC1CN
InChIInChI=1S/C15H20F4N2/c1-10-2-3-21(9-12(10)7-20)8-11-4-13(15(17,18)19)6-14(16)5-11/h4-6,10,12H,2-3,7-9,20H2,1H3
InChIKeyAUJZHAFBXCCIBY-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 103575425
[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine
CID 114393433
[1-[(4-ethylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114960117
[4-methyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-3-yl]methanamine
CID 114961207
3-chloro-1-[(3,5-difluorophenyl)methyl]-4-methylpiperidine
CID 102960013
1-ethyl-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine
CID 118088070
[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961022
4-[[3-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-N,N-dimethylaniline
CID 114959973
[4-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 114959813
[4-methyl-1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methanamine
CID 114960967
4-[[3-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-bromo-6-methoxyphenol
CID 114960179
[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780785

Frequently Asked Questions

What is the IUPAC name of [1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-3-yl]methanamine (CID 114960042) is [1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-3-yl]methanamine is CC1CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC1CN.
What is the InChIKey of [1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-3-yl]methanamine?
The InChIKey is AUJZHAFBXCCIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2/c1-10-2-3-21(9-12(10)7-20)8-11-4-13(15(17,18)19)6-14(16)5-11/h4-6,10,12H,2-3,7-9,20H2,1H3.
What are the key properties of [1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-3-yl]methanamine?
[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-3-yl]methanamine has a molecular weight of 304.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114960042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).