1-(4-phenylcyclohexyl)piperazine;bis(2,2,2-trifluoroacetic acid)

C20H26F6N2O4 — CID 21182439

IUPAC1-(4-phenylcyclohexyl)piperazine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(C2CCC(N3CCNCC3)CC2)cc1
InChIInChI=1S/C16H24N2.2C2HF3O2/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)18-12-10-17-11-13-18;2*3-2(4,5)1(6)7/h1-5,15-17H,6-13H2;2*(H,6,7)
InChIKeyYJMZRISOAVIOBB-UHFFFAOYSA-N
MW472.43 g/mol
LogP3.88
Rot. Bonds2

About 1-(4-phenylcyclohexyl)piperazine;bis(2,2,2-trifluoroacetic acid)

1-(4-phenylcyclohexyl)piperazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 21182439) has the molecular formula C20H26F6N2O4 and a molecular weight of 472.43 g/mol. Its IUPAC name is 1-(4-phenylcyclohexyl)piperazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-(4-phenylcyclohexyl)piperazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID21182439
Molecular FormulaC20H26F6N2O4
Molecular Weight472.43 g/mol
Exact Mass472.18
IUPAC Name1-(4-phenylcyclohexyl)piperazine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(C2CCC(N3CCNCC3)CC2)cc1
InChIInChI=1S/C16H24N2.2C2HF3O2/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)18-12-10-17-11-13-18;2*3-2(4,5)1(6)7/h1-5,15-17H,6-13H2;2*(H,6,7)
InChIKeyYJMZRISOAVIOBB-UHFFFAOYSA-N
XLogP3.88
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.43
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-(cyclohexylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536488
1-[1-(cyclohexylmethyl)piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;2,2,2-trifluoroacetic acid
CID 44536520
4-(5,6,7,8-Tetrahydronaphthalen-1-yl)piperidine;2,2,2-trifluoroacetic acid
CID 57404446
US10300051, Example 19
CID 118302887
US10300051, Example 20
CID 118302893
US10300051, Example 18
CID 118302925
2-methyl-N-[[3-[3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenyl]phenyl]methyl]propan-1-amine;2,2,2-trifluoroacetic acid
CID 44534732
N-butyl-1-(4,4-diphenylbutyl)piperidin-4-amine;oxalic acid
CID 11224812
2,2-Diphenyl-1-(piperazin-1-yl)ethanone 2,2,2-trifluoroacetate
CID 45074775
2-amino-1-[5-(2,5-difluorophenyl)-3-phenyl-3,6-dihydro-2H-pyridin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 10049704

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylcyclohexyl)piperazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-(4-phenylcyclohexyl)piperazine;bis(2,2,2-trifluoroacetic acid) (CID 21182439) is 1-(4-phenylcyclohexyl)piperazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-(4-phenylcyclohexyl)piperazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-(4-phenylcyclohexyl)piperazine;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(C2CCC(N3CCNCC3)CC2)cc1.
What is the InChIKey of 1-(4-phenylcyclohexyl)piperazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is YJMZRISOAVIOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2.2C2HF3O2/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)18-12-10-17-11-13-18;2*3-2(4,5)1(6)7/h1-5,15-17H,6-13H2;2*(H,6,7).
What are the key properties of 1-(4-phenylcyclohexyl)piperazine;bis(2,2,2-trifluoroacetic acid)?
1-(4-phenylcyclohexyl)piperazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 472.43 g/mol, XLogP of 3.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylcyclohexyl)piperazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 21182439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).