1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine

C22H32F3N3 — CID 56718695

IUPAC1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(C3CCCN(C4CCCCC4)C3)CC2)c1
InChIInChI=1S/C22H32F3N3/c23-22(24,25)18-6-4-9-20(16-18)26-12-14-27(15-13-26)21-10-5-11-28(17-21)19-7-2-1-3-8-19/h4,6,9,16,19,21H,1-3,5,7-8,10-15,17H2
InChIKeyJLJJWPVFKRCCSM-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.62
Rot. Bonds3

About 1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine

1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 56718695) has the molecular formula C22H32F3N3 and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID56718695
Molecular FormulaC22H32F3N3
Molecular Weight395.51 g/mol
Exact Mass395.25
IUPAC Name1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(C3CCCN(C4CCCCC4)C3)CC2)c1
InChIInChI=1S/C22H32F3N3/c23-22(24,25)18-6-4-9-20(16-18)26-12-14-27(15-13-26)21-10-5-11-28(17-21)19-7-2-1-3-8-19/h4,6,9,16,19,21H,1-3,5,7-8,10-15,17H2
InChIKeyJLJJWPVFKRCCSM-UHFFFAOYSA-N
XLogP4.62
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 29150756
1-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 45213688
1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 45217580
1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 784417
cyclopropyl-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 42516872
2-hydroxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone
CID 56903793
1-[(3R)-piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 93115751
1H-pyrrol-2-yl-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 56919054
1H-pyrrol-2-yl-[(3S)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 95730426
methyl 2-[(3S)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetate
CID 95727046
methyl 2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetate;dihydrochloride
CID 154893068
1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]pyrrole-2,5-diol
CID 91433845

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine (CID 56718695) is 1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cccc(N2CCN(C3CCCN(C4CCCCC4)C3)CC2)c1.
What is the InChIKey of 1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is JLJJWPVFKRCCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F3N3/c23-22(24,25)18-6-4-9-20(16-18)26-12-14-27(15-13-26)21-10-5-11-28(17-21)19-7-2-1-3-8-19/h4,6,9,16,19,21H,1-3,5,7-8,10-15,17H2.
What are the key properties of 1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine?
1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 395.51 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 56718695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).