1-(1-cyclohexylpiperidin-4-yl)piperazine;tris(2,2,2-trifluoroacetic acid)

C21H32F9N3O6 — CID 158285509

IUPAC1-(1-cyclohexylpiperidin-4-yl)piperazine;tris(2,2,2-trifluoroacetic acid)
SMILESC1CCC(N2CCC(N3CCNCC3)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C15H29N3.3C2HF3O2/c1-2-4-14(5-3-1)17-10-6-15(7-11-17)18-12-8-16-9-13-18;3*3-2(4,5)1(6)7/h14-16H,1-13H2;3*(H,6,7)
InChIKeyGKSPLJISBGHGNM-UHFFFAOYSA-N
MW593.48 g/mol
LogP3.59
Rot. Bonds2

About 1-(1-cyclohexylpiperidin-4-yl)piperazine;tris(2,2,2-trifluoroacetic acid)

1-(1-cyclohexylpiperidin-4-yl)piperazine;tris(2,2,2-trifluoroacetic acid) (PubChem CID 158285509) has the molecular formula C21H32F9N3O6 and a molecular weight of 593.48 g/mol. Its IUPAC name is 1-(1-cyclohexylpiperidin-4-yl)piperazine;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-(1-cyclohexylpiperidin-4-yl)piperazine;tris(2,2,2-trifluoroacetic acid)
PubChem CID158285509
Molecular FormulaC21H32F9N3O6
Molecular Weight593.48 g/mol
Exact Mass593.21
IUPAC Name1-(1-cyclohexylpiperidin-4-yl)piperazine;tris(2,2,2-trifluoroacetic acid)
SMILESC1CCC(N2CCC(N3CCNCC3)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C15H29N3.3C2HF3O2/c1-2-4-14(5-3-1)17-10-6-15(7-11-17)18-12-8-16-9-13-18;3*3-2(4,5)1(6)7/h14-16H,1-13H2;3*(H,6,7)
InChIKeyGKSPLJISBGHGNM-UHFFFAOYSA-N
XLogP3.59
TPSA130.41 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.48
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpiperidin-4-yl)piperazine;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-(1-cyclohexylpiperidin-4-yl)piperazine;tris(2,2,2-trifluoroacetic acid) (CID 158285509) is 1-(1-cyclohexylpiperidin-4-yl)piperazine;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-(1-cyclohexylpiperidin-4-yl)piperazine;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-(1-cyclohexylpiperidin-4-yl)piperazine;tris(2,2,2-trifluoroacetic acid) is C1CCC(N2CCC(N3CCNCC3)CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(1-cyclohexylpiperidin-4-yl)piperazine;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is GKSPLJISBGHGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3.3C2HF3O2/c1-2-4-14(5-3-1)17-10-6-15(7-11-17)18-12-8-16-9-13-18;3*3-2(4,5)1(6)7/h14-16H,1-13H2;3*(H,6,7).
What are the key properties of 1-(1-cyclohexylpiperidin-4-yl)piperazine;tris(2,2,2-trifluoroacetic acid)?
1-(1-cyclohexylpiperidin-4-yl)piperazine;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 593.48 g/mol, XLogP of 3.59, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpiperidin-4-yl)piperazine;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 158285509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).