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

C17H24F3N3 — CID 784417

IUPAC1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCN1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C17H24F3N3/c1-21-7-5-15(6-8-21)22-9-11-23(12-10-22)16-4-2-3-14(13-16)17(18,19)20/h2-4,13,15H,5-12H2,1H3
InChIKeyUVLWLYGPCRPEJB-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.92
Rot. Bonds2

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

1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 784417) has the molecular formula C17H24F3N3 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID784417
Molecular FormulaC17H24F3N3
Molecular Weight327.39 g/mol
Exact Mass327.19
IUPAC Name1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCN1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C17H24F3N3/c1-21-7-5-15(6-8-21)22-9-11-23(12-10-22)16-4-2-3-14(13-16)17(18,19)20/h2-4,13,15H,5-12H2,1H3
InChIKeyUVLWLYGPCRPEJB-UHFFFAOYSA-N
XLogP2.92
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine
CID 154771446
1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]pyrrole-2,5-diol
CID 91433845
1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 56718695
1-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 45213688
1-[(3R)-thiolan-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 30983731
3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]oxolan-2-one
CID 91811552
1-[(3S)-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 29150756
1-[(3R)-piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 93115751
1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 45217580
3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
CID 66656690
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 57442446
1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
CID 123493648

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine (CID 784417) is 1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine is CN1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is UVLWLYGPCRPEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3/c1-21-7-5-15(6-8-21)22-9-11-23(12-10-22)16-4-2-3-14(13-16)17(18,19)20/h2-4,13,15H,5-12H2,1H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine?
1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 327.39 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 784417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).