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

C19H21F3N2 — CID 67819925

IUPAC(2S,3S)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
SMILESFC(F)(F)c1cccc(CN[C@H]2CCCN[C@H]2c2ccccc2)c1
InChIInChI=1S/C19H21F3N2/c20-19(21,22)16-9-4-6-14(12-16)13-24-17-10-5-11-23-18(17)15-7-2-1-3-8-15/h1-4,6-9,12,17-18,23-24H,5,10-11,13H2/t17-,18-/m0/s1
InChIKeyYEYCUPFNUKEJFG-ROUUACIJSA-N
MW334.39 g/mol
LogP4.29
Rot. Bonds4

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

(2S,3S)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine (PubChem CID 67819925) has the molecular formula C19H21F3N2 and a molecular weight of 334.39 g/mol. Its IUPAC name is (2S,3S)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
PubChem CID67819925
Molecular FormulaC19H21F3N2
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name(2S,3S)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
SMILESFC(F)(F)c1cccc(CN[C@H]2CCCN[C@H]2c2ccccc2)c1
InChIInChI=1S/C19H21F3N2/c20-19(21,22)16-9-4-6-14(12-16)13-24-17-10-5-11-23-18(17)15-7-2-1-3-8-15/h1-4,6-9,12,17-18,23-24H,5,10-11,13H2/t17-,18-/m0/s1
InChIKeyYEYCUPFNUKEJFG-ROUUACIJSA-N
XLogP4.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 19012951
(2S,3S)-N-benzyl-2-phenylpiperidin-3-amine
CID 67754429
1-N,2-N-bis[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040821
N-[[3-(2-fluoropropylsulfanyl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 70202619
2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 43080931
(2S,3R)-N-benzyl-2-phenylpyrrolidin-3-amine
CID 11499795
(2S,3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenylpiperidin-3-amine
CID 57162412
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 22918527
2-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 43434076
(2S,3S)-N-[[5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine
CID 57292442
2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 103701066
(2S,3S)-N-[[5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 86758791

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine?
The IUPAC name of (2S,3S)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine (CID 67819925) is (2S,3S)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine.
What is the SMILES notation for (2S,3S)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine?
The canonical SMILES for (2S,3S)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine is FC(F)(F)c1cccc(CN[C@H]2CCCN[C@H]2c2ccccc2)c1.
What is the InChIKey of (2S,3S)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine?
The InChIKey is YEYCUPFNUKEJFG-ROUUACIJSA-N. The full InChI is InChI=1S/C19H21F3N2/c20-19(21,22)16-9-4-6-14(12-16)13-24-17-10-5-11-23-18(17)15-7-2-1-3-8-15/h1-4,6-9,12,17-18,23-24H,5,10-11,13H2/t17-,18-/m0/s1.
What are the key properties of (2S,3S)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine?
(2S,3S)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine has a molecular weight of 334.39 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine is sourced from PubChem (CID 67819925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).