(2S,3S)-2-phenyl-N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-3-amine

C20H23F3N2O — CID 67725433

IUPAC(2S,3S)-2-phenyl-N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-3-amine
SMILESFC(F)(F)COC(N[C@H]1CCCN[C@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23F3N2O/c21-20(22,23)14-26-19(16-10-5-2-6-11-16)25-17-12-7-13-24-18(17)15-8-3-1-4-9-15/h1-6,8-11,17-19,24-25H,7,12-14H2/t17-,18-,19?/m0/s1
InChIKeySSIVIUSISVMUQP-ADUPEVMXSA-N
MW364.41 g/mol
LogP4.35
Rot. Bonds6

About (2S,3S)-2-phenyl-N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-3-amine

(2S,3S)-2-phenyl-N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-3-amine (PubChem CID 67725433) has the molecular formula C20H23F3N2O and a molecular weight of 364.41 g/mol. Its IUPAC name is (2S,3S)-2-phenyl-N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-phenyl-N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-3-amine
PubChem CID67725433
Molecular FormulaC20H23F3N2O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name(2S,3S)-2-phenyl-N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-3-amine
SMILESFC(F)(F)COC(N[C@H]1CCCN[C@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23F3N2O/c21-20(22,23)14-26-19(16-10-5-2-6-11-16)25-17-12-7-13-24-18(17)15-8-3-1-4-9-15/h1-6,8-11,17-19,24-25H,7,12-14H2/t17-,18-,19?/m0/s1
InChIKeySSIVIUSISVMUQP-ADUPEVMXSA-N
XLogP4.35
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-3-((3,5-Bis(trifluoromethyl)phenyl)methoxy)-2-phenylpiperidine
CID 132846
L-733,060 hydrochloride
CID 11957600
(2-Difluoromethoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 9945487
(S)-2-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-2-phenylpiperidine
CID 11712457
3-Benzyloxy-2-phenyl-piperidine
CID 44331794
1-[2-[(3,5-Difluorophenyl)methoxy]-1-phenylethyl]piperazine
CID 44338530
2-({[3,5-Bis(trifluoromethyl)phenyl]methoxy}methyl)-2-phenylpiperidine
CID 44346206
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(2-methylphenyl)ethyl]piperazine
CID 44358516
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-4-methylpiperazine
CID 44358612
(2S,3S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-3-phenyl-morpholine
CID 9887525
2-[4-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazin-1-yl]acetonitrile
CID 10140125
(2R,3S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-3-phenyl-morpholine
CID 10501444

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-phenyl-N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-3-amine?
The IUPAC name of (2S,3S)-2-phenyl-N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-3-amine (CID 67725433) is (2S,3S)-2-phenyl-N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-3-amine.
What is the SMILES notation for (2S,3S)-2-phenyl-N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-3-amine?
The canonical SMILES for (2S,3S)-2-phenyl-N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-3-amine is FC(F)(F)COC(N[C@H]1CCCN[C@H]1c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3S)-2-phenyl-N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-3-amine?
The InChIKey is SSIVIUSISVMUQP-ADUPEVMXSA-N. The full InChI is InChI=1S/C20H23F3N2O/c21-20(22,23)14-26-19(16-10-5-2-6-11-16)25-17-12-7-13-24-18(17)15-8-3-1-4-9-15/h1-6,8-11,17-19,24-25H,7,12-14H2/t17-,18-,19?/m0/s1.
What are the key properties of (2S,3S)-2-phenyl-N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-3-amine?
(2S,3S)-2-phenyl-N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-3-amine has a molecular weight of 364.41 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-phenyl-N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-3-amine is sourced from PubChem (CID 67725433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).