(2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine

C42H86F8N10 — CID 162084987

IUPAC(2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine
SMILESCC(C)N1CCN(C)C[C@@H]1C.CC(C)N1CCN(C)C[C@H]1C.CC(C)N1CCNC[C@@H]1C(F)(F)F.CC(C)N1CCNC[C@H]1C(F)(F)F.CC(C)N1CCNC[C@H]1C(F)F
InChIInChI=1S/2C9H20N2.2C8H15F3N2.C8H16F2N2/c2*1-8(2)11-6-5-10(4)7-9(11)3;2*1-6(2)13-4-3-12-5-7(13)8(9,10)11;1-6(2)12-4-3-11-5-7(12)8(9)10/h2*8-9H,5-7H2,1-4H3;2*6-7,12H,3-5H2,1-2H3;6-8,11H,3-5H2,1-2H3/t2*9-;3*7-/m10100/s1
InChIKeyZCVPHELPCRBVQD-WJUHANAHSA-N
MW883.20 g/mol
LogP5.46
Rot. Bonds6

About (2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine

(2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine (PubChem CID 162084987) has the molecular formula C42H86F8N10 and a molecular weight of 883.20 g/mol. Its IUPAC name is (2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name(2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine
PubChem CID162084987
Molecular FormulaC42H86F8N10
Molecular Weight883.20 g/mol
Exact Mass882.69
IUPAC Name(2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine
SMILESCC(C)N1CCN(C)C[C@@H]1C.CC(C)N1CCN(C)C[C@H]1C.CC(C)N1CCNC[C@@H]1C(F)(F)F.CC(C)N1CCNC[C@H]1C(F)(F)F.CC(C)N1CCNC[C@H]1C(F)F
InChIInChI=1S/2C9H20N2.2C8H15F3N2.C8H16F2N2/c2*1-8(2)11-6-5-10(4)7-9(11)3;2*1-6(2)13-4-3-12-5-7(13)8(9,10)11;1-6(2)12-4-3-11-5-7(12)8(9)10/h2*8-9H,5-7H2,1-4H3;2*6-7,12H,3-5H2,1-2H3;6-8,11H,3-5H2,1-2H3/t2*9-;3*7-/m10100/s1
InChIKeyZCVPHELPCRBVQD-WJUHANAHSA-N
XLogP5.46
TPSA58.77 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.20
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine?
The IUPAC name of (2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine (CID 162084987) is (2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine.
What is the SMILES notation for (2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine?
The canonical SMILES for (2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine is CC(C)N1CCN(C)C[C@@H]1C.CC(C)N1CCN(C)C[C@H]1C.CC(C)N1CCNC[C@@H]1C(F)(F)F.CC(C)N1CCNC[C@H]1C(F)(F)F.CC(C)N1CCNC[C@H]1C(F)F.
What is the InChIKey of (2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine?
The InChIKey is ZCVPHELPCRBVQD-WJUHANAHSA-N. The full InChI is InChI=1S/2C9H20N2.2C8H15F3N2.C8H16F2N2/c2*1-8(2)11-6-5-10(4)7-9(11)3;2*1-6(2)13-4-3-12-5-7(13)8(9,10)11;1-6(2)12-4-3-11-5-7(12)8(9)10/h2*8-9H,5-7H2,1-4H3;2*6-7,12H,3-5H2,1-2H3;6-8,11H,3-5H2,1-2H3/t2*9-;3*7-/m10100/s1.
What are the key properties of (2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine?
(2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine has a molecular weight of 883.20 g/mol, XLogP of 5.46, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(difluoromethyl)-1-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2S)-1-propan-2-yl-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 162084987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).