N-[(2-aminophenyl)-phenylmethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

C26H28F3N3 — CID 139982347

IUPACN-[(2-aminophenyl)-phenylmethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESNc1ccccc1C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1
InChIInChI=1S/C26H28F3N3/c27-26(28,29)21-10-6-7-19(17-21)18-32-15-13-22(14-16-32)31-25(20-8-2-1-3-9-20)23-11-4-5-12-24(23)30/h1-12,17,22,25,31H,13-16,18,30H2
InChIKeyCSPSUTDTBICIIF-UHFFFAOYSA-N
MW439.53 g/mol
LogP5.63
Rot. Bonds6

About N-[(2-aminophenyl)-phenylmethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

N-[(2-aminophenyl)-phenylmethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (PubChem CID 139982347) has the molecular formula C26H28F3N3 and a molecular weight of 439.53 g/mol. Its IUPAC name is N-[(2-aminophenyl)-phenylmethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)-phenylmethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
PubChem CID139982347
Molecular FormulaC26H28F3N3
Molecular Weight439.53 g/mol
Exact Mass439.22
IUPAC NameN-[(2-aminophenyl)-phenylmethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESNc1ccccc1C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1
InChIInChI=1S/C26H28F3N3/c27-26(28,29)21-10-6-7-19(17-21)18-32-15-13-22(14-16-32)31-25(20-8-2-1-3-9-20)23-11-4-5-12-24(23)30/h1-12,17,22,25,31H,13-16,18,30H2
InChIKeyCSPSUTDTBICIIF-UHFFFAOYSA-N
XLogP5.63
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.53
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
4-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 80679005
1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18093901
N-[(R)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 154756138
N'-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboximidamide
CID 77038991
4-[[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]methyl]benzoic acid
CID 167874854
4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride
CID 117068516
N-[1-(3-methoxyphenyl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 67407391
methyl 4-[[(2-aminophenyl)-phenylmethyl]amino]piperidine-1-carboxylate
CID 139982406
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905166
N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 163345849
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide
CID 55945248

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)-phenylmethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of N-[(2-aminophenyl)-phenylmethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (CID 139982347) is N-[(2-aminophenyl)-phenylmethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for N-[(2-aminophenyl)-phenylmethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for N-[(2-aminophenyl)-phenylmethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is Nc1ccccc1C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1.
What is the InChIKey of N-[(2-aminophenyl)-phenylmethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The InChIKey is CSPSUTDTBICIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N3/c27-26(28,29)21-10-6-7-19(17-21)18-32-15-13-22(14-16-32)31-25(20-8-2-1-3-9-20)23-11-4-5-12-24(23)30/h1-12,17,22,25,31H,13-16,18,30H2.
What are the key properties of N-[(2-aminophenyl)-phenylmethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
N-[(2-aminophenyl)-phenylmethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine has a molecular weight of 439.53 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)-phenylmethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 139982347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).