1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

C13H17F3N2 — CID 18002013

IUPAC1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C13H17F3N2/c14-13(15,16)12-4-2-1-3-10(12)9-18-7-5-11(17)6-8-18/h1-4,11H,5-9,17H2
InChIKeyOSRTXGKCWCMGGR-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.63
Rot. Bonds2

About 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (PubChem CID 18002013) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
PubChem CID18002013
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C13H17F3N2/c14-13(15,16)12-4-2-1-3-10(12)9-18-7-5-11(17)6-8-18/h1-4,11H,5-9,17H2
InChIKeyOSRTXGKCWCMGGR-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
CID 63250554
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 119909959
(E)-but-2-enedioic acid;1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 69068497
N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 62880119
N,N-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 90269557
4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine
CID 171691368
pyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone
CID 134058330
N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 42542209
N-benzyl-N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 1329756
4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbaldehyde
CID 30983366
1-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-ol
CID 63091103
trans-(1R,2S)-2-phenyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]cyclopropan-1-amine
CID 66571066

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (CID 18002013) is 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is NC1CCN(Cc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The InChIKey is OSRTXGKCWCMGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c14-13(15,16)12-4-2-1-3-10(12)9-18-7-5-11(17)6-8-18/h1-4,11H,5-9,17H2.
What are the key properties of 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine has a molecular weight of 258.29 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 18002013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).