4-benzhydrylidenepiperidine;2,2,2-trifluoroacetic acid

C20H20F3NO2 — CID 67359008

IUPAC4-benzhydrylidenepiperidine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(C(=C2CCNCC2)c2ccccc2)cc1
InChIInChI=1S/C18H19N.C2HF3O2/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17;3-2(4,5)1(6)7/h1-10,19H,11-14H2;(H,6,7)
InChIKeyASESTRIVQKWYIA-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.51
Rot. Bonds2

About 4-benzhydrylidenepiperidine;2,2,2-trifluoroacetic acid

4-benzhydrylidenepiperidine;2,2,2-trifluoroacetic acid (PubChem CID 67359008) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 4-benzhydrylidenepiperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-benzhydrylidenepiperidine;2,2,2-trifluoroacetic acid
PubChem CID67359008
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name4-benzhydrylidenepiperidine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(C(=C2CCNCC2)c2ccccc2)cc1
InChIInChI=1S/C18H19N.C2HF3O2/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17;3-2(4,5)1(6)7/h1-10,19H,11-14H2;(H,6,7)
InChIKeyASESTRIVQKWYIA-UHFFFAOYSA-N
XLogP4.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(cyclohexylmethyl)piperidin-4-yl]-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]methanamine;2,2,2-trifluoroacetic acid
CID 44536005
1-(cyclohexylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536486
1-[1-(cyclohexylmethyl)piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;2,2,2-trifluoroacetic acid
CID 44536520
Piperidine, 4-(1-naphthalenyl)-, 2,2,2-trifluoroacetate (1:1)
CID 57404445
4-(5,6,7,8-Tetrahydronaphthalen-1-yl)piperidine;2,2,2-trifluoroacetic acid
CID 57404446
Benzylphenethylammonium acetate
CID 44152400
N,N'-bis[3-(benzylamino)propyl]butane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 391190
4-(Bis(4-fluorophenyl)methylene)piperidine
CID 2724436
Dibenzylammonium trifluoroacetate
CID 11001428
Piperidine, 1-(4,4-bis(4-fluorophenyl)-3-butenyl)-, (Z)-2-butenedioate (1:1)
CID 6445925
N-benzylphenethylammonium diacetate
CID 56841427
acetic acid;(3E,5E)-3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one
CID 9885747

Frequently Asked Questions

What is the IUPAC name of 4-benzhydrylidenepiperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-benzhydrylidenepiperidine;2,2,2-trifluoroacetic acid (CID 67359008) is 4-benzhydrylidenepiperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-benzhydrylidenepiperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-benzhydrylidenepiperidine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ccc(C(=C2CCNCC2)c2ccccc2)cc1.
What is the InChIKey of 4-benzhydrylidenepiperidine;2,2,2-trifluoroacetic acid?
The InChIKey is ASESTRIVQKWYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N.C2HF3O2/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17;3-2(4,5)1(6)7/h1-10,19H,11-14H2;(H,6,7).
What are the key properties of 4-benzhydrylidenepiperidine;2,2,2-trifluoroacetic acid?
4-benzhydrylidenepiperidine;2,2,2-trifluoroacetic acid has a molecular weight of 363.38 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydrylidenepiperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67359008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).