1-[[(2S)-pyrrolidin-2-yl]methyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine

C15H21F3N4 — CID 164916943

IUPAC1-[[(2S)-pyrrolidin-2-yl]methyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(C[C@@H]3CCCN3)CC2)n1
InChIInChI=1S/C15H21F3N4/c16-15(17,18)13-4-1-5-14(20-13)22-9-7-21(8-10-22)11-12-3-2-6-19-12/h1,4-5,12,19H,2-3,6-11H2/t12-/m0/s1
InChIKeyIAQABHLKXULDMZ-LBPRGKRZSA-N
MW314.35 g/mol
LogP1.97
Rot. Bonds3

About 1-[[(2S)-pyrrolidin-2-yl]methyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine

1-[[(2S)-pyrrolidin-2-yl]methyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 164916943) has the molecular formula C15H21F3N4 and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-[[(2S)-pyrrolidin-2-yl]methyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[[(2S)-pyrrolidin-2-yl]methyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID164916943
Molecular FormulaC15H21F3N4
Molecular Weight314.35 g/mol
Exact Mass314.17
IUPAC Name1-[[(2S)-pyrrolidin-2-yl]methyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(C[C@@H]3CCCN3)CC2)n1
InChIInChI=1S/C15H21F3N4/c16-15(17,18)13-4-1-5-14(20-13)22-9-7-21(8-10-22)11-12-3-2-6-19-12/h1,4-5,12,19H,2-3,6-11H2/t12-/m0/s1
InChIKeyIAQABHLKXULDMZ-LBPRGKRZSA-N
XLogP1.97
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine
CID 93355113
3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine
CID 62478925
3-piperidin-1-yl-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 166601439
1-(2-chlorophenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
CID 93022446
1-(3-methylphenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
CID 22689612
1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine
CID 133452314
1-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 55142508
N'-hydroxy-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanimidamide
CID 77011764
(3R,4R)-1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4-diol
CID 166834244
5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrimidin-2-amine
CID 50948434
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]azepane
CID 64569761
2-(3-bromopiperidin-1-yl)-6-(trifluoromethyl)pyridine
CID 80672529

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-pyrrolidin-2-yl]methyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[[(2S)-pyrrolidin-2-yl]methyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine (CID 164916943) is 1-[[(2S)-pyrrolidin-2-yl]methyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[[(2S)-pyrrolidin-2-yl]methyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[[(2S)-pyrrolidin-2-yl]methyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine is FC(F)(F)c1cccc(N2CCN(C[C@@H]3CCCN3)CC2)n1.
What is the InChIKey of 1-[[(2S)-pyrrolidin-2-yl]methyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is IAQABHLKXULDMZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21F3N4/c16-15(17,18)13-4-1-5-14(20-13)22-9-7-21(8-10-22)11-12-3-2-6-19-12/h1,4-5,12,19H,2-3,6-11H2/t12-/m0/s1.
What are the key properties of 1-[[(2S)-pyrrolidin-2-yl]methyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[[(2S)-pyrrolidin-2-yl]methyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 314.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-pyrrolidin-2-yl]methyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 164916943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).