[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine

C14H19F3N2 — CID 55209715

IUPAC[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H19F3N2/c15-14(16,17)13-3-1-12(2-4-13)10-19-7-5-11(9-18)6-8-19/h1-4,11H,5-10,18H2
InChIKeyOFRDIPPUWQVNCX-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.88
Rot. Bonds3

About [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine

[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine (PubChem CID 55209715) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
PubChem CID55209715
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H19F3N2/c15-14(16,17)13-3-1-12(2-4-13)10-19-7-5-11(9-18)6-8-19/h1-4,11H,5-10,18H2
InChIKeyOFRDIPPUWQVNCX-UHFFFAOYSA-N
XLogP2.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxyethanamine
CID 82689141
[1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride
CID 120834617
4-piperidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 27267003
[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methanamine
CID 67492267
1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 112630040
1-(2-chloroethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 63386669
[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine
CID 62122086
[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-4-yl]methanamine
CID 83230630
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 17221513
3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080885
[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]methanamine
CID 80504637
[1-[(4-trimethylsilylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 103438151

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine (CID 55209715) is [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine is NCC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine?
The InChIKey is OFRDIPPUWQVNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c15-14(16,17)13-3-1-12(2-4-13)10-19-7-5-11(9-18)6-8-19/h1-4,11H,5-10,18H2.
What are the key properties of [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine?
[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine has a molecular weight of 272.31 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 55209715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).