(2S)-N-(2-piperidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine

C17H25F3N2 — CID 757431

IUPAC(2S)-N-(2-piperidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESC[C@@H](Cc1cccc(C(F)(F)F)c1)NCCN1CCCCC1
InChIInChI=1S/C17H25F3N2/c1-14(21-8-11-22-9-3-2-4-10-22)12-15-6-5-7-16(13-15)17(18,19)20/h5-7,13-14,21H,2-4,8-12H2,1H3/t14-/m0/s1
InChIKeyIPVAQYBSKJLMME-AWEZNQCLSA-N
MW314.39 g/mol
LogP3.71
Rot. Bonds6

About (2S)-N-(2-piperidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine

(2S)-N-(2-piperidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 757431) has the molecular formula C17H25F3N2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S)-N-(2-piperidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-N-(2-piperidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID757431
Molecular FormulaC17H25F3N2
Molecular Weight314.39 g/mol
Exact Mass314.20
IUPAC Name(2S)-N-(2-piperidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESC[C@@H](Cc1cccc(C(F)(F)F)c1)NCCN1CCCCC1
InChIInChI=1S/C17H25F3N2/c1-14(21-8-11-22-9-3-2-4-10-22)12-15-6-5-7-16(13-15)17(18,19)20/h5-7,13-14,21H,2-4,8-12H2,1H3/t14-/m0/s1
InChIKeyIPVAQYBSKJLMME-AWEZNQCLSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine
CID 114993345
3-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]propanenitrile;hydrochloride
CID 3046408
4-methyl-N-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazin-1-amine
CID 7443492
N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline
CID 54807271
acetic acid;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol
CID 23622748
N-(2-benzhydrylsulfanylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 10002741
2-[1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol;hydrate;dihydrochloride
CID 70468581
(2S)-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 42563452
2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanesulfonamide
CID 122150328
ethane;N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydroxysulfanylethane
CID 143236210
4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181589
3-methylbut-2-enoic acid;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol
CID 20838478

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-piperidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of (2S)-N-(2-piperidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine (CID 757431) is (2S)-N-(2-piperidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for (2S)-N-(2-piperidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for (2S)-N-(2-piperidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine is C[C@@H](Cc1cccc(C(F)(F)F)c1)NCCN1CCCCC1.
What is the InChIKey of (2S)-N-(2-piperidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is IPVAQYBSKJLMME-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25F3N2/c1-14(21-8-11-22-9-3-2-4-10-22)12-15-6-5-7-16(13-15)17(18,19)20/h5-7,13-14,21H,2-4,8-12H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-N-(2-piperidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
(2S)-N-(2-piperidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 314.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-piperidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 757431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).