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

C16H22F3N3 — CID 93115751

IUPAC1-[(3R)-piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN([C@@H]3CCCNC3)CC2)c1
InChIInChI=1S/C16H22F3N3/c17-16(18,19)13-3-1-4-14(11-13)21-7-9-22(10-8-21)15-5-2-6-20-12-15/h1,3-4,11,15,20H,2,5-10,12H2/t15-/m1/s1
InChIKeyVCEBVQUNVRUVPC-OAHLLOKOSA-N
MW313.37 g/mol
LogP2.58
Rot. Bonds2

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

1-[(3R)-piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 93115751) has the molecular formula C16H22F3N3 and a molecular weight of 313.37 g/mol. Its IUPAC name is 1-[(3R)-piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[(3R)-piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID93115751
Molecular FormulaC16H22F3N3
Molecular Weight313.37 g/mol
Exact Mass313.18
IUPAC Name1-[(3R)-piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN([C@@H]3CCCNC3)CC2)c1
InChIInChI=1S/C16H22F3N3/c17-16(18,19)13-3-1-4-14(11-13)21-7-9-22(10-8-21)15-5-2-6-20-12-15/h1,3-4,11,15,20H,2,5-10,12H2/t15-/m1/s1
InChIKeyVCEBVQUNVRUVPC-OAHLLOKOSA-N
XLogP2.58
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-4-[(3R)-piperidin-3-yl]piperazine
CID 51704980
1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 784417
1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 56718695
3-[4-(3-methylphenyl)piperazin-1-yl]azepane
CID 62642253
1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 45217580
1-[(3R)-thiolan-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 30983731
1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]pyrrole-2,5-diol
CID 91433845
pyrrolidin-3-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 119828342
cyclopropyl-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 42516872
1-[(3S)-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 29150756
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 57442446
2-hydroxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone
CID 56903793

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[(3R)-piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 93115751) is 1-[(3R)-piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[(3R)-piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[(3R)-piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cccc(N2CCN([C@@H]3CCCNC3)CC2)c1.
What is the InChIKey of 1-[(3R)-piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is VCEBVQUNVRUVPC-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22F3N3/c17-16(18,19)13-3-1-4-14(11-13)21-7-9-22(10-8-21)15-5-2-6-20-12-15/h1,3-4,11,15,20H,2,5-10,12H2/t15-/m1/s1.
What are the key properties of 1-[(3R)-piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[(3R)-piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 313.37 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 93115751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).