1-(3,3-diphenylpropyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)

C24H28F6N2O4 — CID 22254650

IUPAC1-(3,3-diphenylpropyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
SMILESNC1CCN(CCC(c2ccccc2)c2ccccc2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C20H26N2.2C2HF3O2/c21-19-11-14-22(15-12-19)16-13-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18;2*3-2(4,5)1(6)7/h1-10,19-20H,11-16,21H2;2*(H,6,7)
InChIKeyUNJHFOIEBKGRJE-UHFFFAOYSA-N
MW522.49 g/mol
LogP4.90
Rot. Bonds5

About 1-(3,3-diphenylpropyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)

1-(3,3-diphenylpropyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 22254650) has the molecular formula C24H28F6N2O4 and a molecular weight of 522.49 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID22254650
Molecular FormulaC24H28F6N2O4
Molecular Weight522.49 g/mol
Exact Mass522.20
IUPAC Name1-(3,3-diphenylpropyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
SMILESNC1CCN(CCC(c2ccccc2)c2ccccc2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C20H26N2.2C2HF3O2/c21-19-11-14-22(15-12-19)16-13-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18;2*3-2(4,5)1(6)7/h1-10,19-20H,11-16,21H2;2*(H,6,7)
InChIKeyUNJHFOIEBKGRJE-UHFFFAOYSA-N
XLogP4.90
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.49
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(3,3-diphenylpropyl)pyrrolidin-3-amine
CID 58636592
benzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate
CID 25223025
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 25205776
(3S)-1-phenylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 122677958
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methylbenzamide
CID 18381967
1-(2-cyclopropylethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 174922919
1-[(2-nitrophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 67027571
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060
1-(3,3-diphenylpropyl)-4-ethenylpiperidine
CID 89209836
1-(3,3-diphenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-4-carboxamide
CID 25224578
3-[8-(3,3-diphenylpropyl)-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl]propanoic acid;2,2,2-trifluoroacetic acid
CID 11444870
1-(3,3-diphenylpropyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide
CID 25224577

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-(3,3-diphenylpropyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid) (CID 22254650) is 1-(3,3-diphenylpropyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-(3,3-diphenylpropyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-(3,3-diphenylpropyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid) is NC1CCN(CCC(c2ccccc2)c2ccccc2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(3,3-diphenylpropyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is UNJHFOIEBKGRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2.2C2HF3O2/c21-19-11-14-22(15-12-19)16-13-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18;2*3-2(4,5)1(6)7/h1-10,19-20H,11-16,21H2;2*(H,6,7).
What are the key properties of 1-(3,3-diphenylpropyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
1-(3,3-diphenylpropyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 522.49 g/mol, XLogP of 4.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 22254650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).