(2S)-2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanamine

C14H19F3N2 — CID 30116375

IUPAC(2S)-2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanamine
SMILESNC[C@H](c1ccccc1C(F)(F)F)N1CCCCC1
InChIInChI=1S/C14H19F3N2/c15-14(16,17)12-7-3-2-6-11(12)13(10-18)19-8-4-1-5-9-19/h2-3,6-7,13H,1,4-5,8-10,18H2/t13-/m1/s1
InChIKeyFIAVDFDUQDGAHI-CYBMUJFWSA-N
MW272.31 g/mol
LogP3.19
Rot. Bonds3

About (2S)-2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanamine

(2S)-2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 30116375) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is (2S)-2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(2S)-2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID30116375
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name(2S)-2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanamine
SMILESNC[C@H](c1ccccc1C(F)(F)F)N1CCCCC1
InChIInChI=1S/C14H19F3N2/c15-14(16,17)12-7-3-2-6-11(12)13(10-18)19-8-4-1-5-9-19/h2-3,6-7,13H,1,4-5,8-10,18H2/t13-/m1/s1
InChIKeyFIAVDFDUQDGAHI-CYBMUJFWSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,4-thiazepan-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 61419651
2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol
CID 54775953
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 43581265
N-piperidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 83012265
2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 54881939
2-(azepan-1-yl)-2-naphthalen-1-ylethanamine
CID 43180381
2-(azepan-1-yl)-2-(2-ethylphenyl)ethanamine
CID 62392801
2-(azocan-1-yl)-2-[2-(difluoromethoxy)phenyl]ethanamine
CID 43211843
1-[1-[2-(trifluoromethyl)phenyl]propyl]-1,4-diazepane
CID 3580285
2-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 16792257
(2R)-2-(2-ethoxyphenyl)-2-piperidin-1-ylethanamine
CID 93489676
1-[(1S)-2-fluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171181940

Frequently Asked Questions

What is the IUPAC name of (2S)-2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (2S)-2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanamine (CID 30116375) is (2S)-2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (2S)-2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (2S)-2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanamine is NC[C@H](c1ccccc1C(F)(F)F)N1CCCCC1.
What is the InChIKey of (2S)-2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is FIAVDFDUQDGAHI-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19F3N2/c15-14(16,17)12-7-3-2-6-11(12)13(10-18)19-8-4-1-5-9-19/h2-3,6-7,13H,1,4-5,8-10,18H2/t13-/m1/s1.
What are the key properties of (2S)-2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanamine?
(2S)-2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 272.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 30116375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).