trans-(1R,2S)-2-phenyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]cyclopropan-1-amine

C23H27F3N2 — CID 66571066

IUPACtrans-(1R,2S)-2-phenyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]cyclopropan-1-amine
SMILESFC(F)(F)c1ccccc1CN1CCC(CN[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C23H27F3N2/c24-23(25,26)21-9-5-4-8-19(21)16-28-12-10-17(11-13-28)15-27-22-14-20(22)18-6-2-1-3-7-18/h1-9,17,20,22,27H,10-16H2/t20-,22+/m0/s1
InChIKeyIMBBPRXZGWPZGA-RBBKRZOGSA-N
MW388.48 g/mol
LogP5.06
Rot. Bonds6

About trans-(1R,2S)-2-phenyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]cyclopropan-1-amine

trans-(1R,2S)-2-phenyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]cyclopropan-1-amine (PubChem CID 66571066) has the molecular formula C23H27F3N2 and a molecular weight of 388.48 g/mol. Its IUPAC name is trans-(1R,2S)-2-phenyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-phenyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]cyclopropan-1-amine
PubChem CID66571066
Molecular FormulaC23H27F3N2
Molecular Weight388.48 g/mol
Exact Mass388.21
IUPAC Nametrans-(1R,2S)-2-phenyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]cyclopropan-1-amine
SMILESFC(F)(F)c1ccccc1CN1CCC(CN[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C23H27F3N2/c24-23(25,26)21-9-5-4-8-19(21)16-28-12-10-17(11-13-28)15-27-22-14-20(22)18-6-2-1-3-7-18/h1-9,17,20,22,27H,10-16H2/t20-,22+/m0/s1
InChIKeyIMBBPRXZGWPZGA-RBBKRZOGSA-N
XLogP5.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.48
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2S)-2-phenyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]cyclopropan-1-amine with MolForge

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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-4-amine
CID 18002013
1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone
CID 77144981
3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid
CID 66571126
N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 62880119
1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 55378502
4-[[4-[[[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzoic acid
CID 66571592
tert-butyl 4-[[[(2R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 138722566
tert-butyl 4-[[[(1S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 70810888
trans-(1R,2S)-2-phenyl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine
CID 53373930
[(3R,4R)-4-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120758679
N-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18089156

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-phenyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]cyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-phenyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]cyclopropan-1-amine (CID 66571066) is trans-(1R,2S)-2-phenyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-phenyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-phenyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]cyclopropan-1-amine is FC(F)(F)c1ccccc1CN1CCC(CN[C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of trans-(1R,2S)-2-phenyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]cyclopropan-1-amine?
The InChIKey is IMBBPRXZGWPZGA-RBBKRZOGSA-N. The full InChI is InChI=1S/C23H27F3N2/c24-23(25,26)21-9-5-4-8-19(21)16-28-12-10-17(11-13-28)15-27-22-14-20(22)18-6-2-1-3-7-18/h1-9,17,20,22,27H,10-16H2/t20-,22+/m0/s1.
What are the key properties of trans-(1R,2S)-2-phenyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]cyclopropan-1-amine?
trans-(1R,2S)-2-phenyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]cyclopropan-1-amine has a molecular weight of 388.48 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-phenyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 66571066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).