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

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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).