(2S)-1-butan-2-yl-2-(difluoromethyl)-4-propan-2-ylpiperazine

C12H24F2N2 — CID 176559079

IUPAC(2S)-1-butan-2-yl-2-(difluoromethyl)-4-propan-2-ylpiperazine
SMILESCCC(C)N1CCN(C(C)C)C[C@H]1C(F)F
InChIInChI=1S/C12H24F2N2/c1-5-10(4)16-7-6-15(9(2)3)8-11(16)12(13)14/h9-12H,5-8H2,1-4H3/t10?,11-/m0/s1
InChIKeyAGFIFWMVBMHLJJ-DTIOYNMSSA-N
MW234.33 g/mol
LogP2.44
Rot. Bonds4

About (2S)-1-butan-2-yl-2-(difluoromethyl)-4-propan-2-ylpiperazine

(2S)-1-butan-2-yl-2-(difluoromethyl)-4-propan-2-ylpiperazine (PubChem CID 176559079) has the molecular formula C12H24F2N2 and a molecular weight of 234.33 g/mol. Its IUPAC name is (2S)-1-butan-2-yl-2-(difluoromethyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2S)-1-butan-2-yl-2-(difluoromethyl)-4-propan-2-ylpiperazine
PubChem CID176559079
Molecular FormulaC12H24F2N2
Molecular Weight234.33 g/mol
Exact Mass234.19
IUPAC Name(2S)-1-butan-2-yl-2-(difluoromethyl)-4-propan-2-ylpiperazine
SMILESCCC(C)N1CCN(C(C)C)C[C@H]1C(F)F
InChIInChI=1S/C12H24F2N2/c1-5-10(4)16-7-6-15(9(2)3)8-11(16)12(13)14/h9-12H,5-8H2,1-4H3/t10?,11-/m0/s1
InChIKeyAGFIFWMVBMHLJJ-DTIOYNMSSA-N
XLogP2.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(difluoromethyl)-1-ethyl-4-propan-2-ylpiperazine;ethane
CID 172575447
1,2,4-tri(propan-2-yl)piperazine
CID 58977477
(2S)-2-(difluoromethyl)-4-ethyl-1-propan-2-ylpiperazine
CID 176559353
1-butan-2-yl-3-propan-2-ylimidazolidine
CID 134599258
1-butan-2-yl-4-(difluoromethyl)piperidine
CID 127988916
6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291266
(2S)-2-(methoxymethyl)-1,4-di(propan-2-yl)piperazine
CID 169016330
1-(1-butan-2-ylpiperidin-2-yl)ethanol
CID 130747081
1-butan-2-yl-2-fluoropyrrolidine
CID 167204489
(2R)-2-ethyl-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291285
(2R,6R)-2,6-dimethyl-1-[5-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]hexan-2-yl]-4-propan-2-ylpiperazine
CID 166707730
4-propan-2-yl-1-propyl-2-(trifluoromethyl)piperazine
CID 170569304

Frequently Asked Questions

What is the IUPAC name of (2S)-1-butan-2-yl-2-(difluoromethyl)-4-propan-2-ylpiperazine?
The IUPAC name of (2S)-1-butan-2-yl-2-(difluoromethyl)-4-propan-2-ylpiperazine (CID 176559079) is (2S)-1-butan-2-yl-2-(difluoromethyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for (2S)-1-butan-2-yl-2-(difluoromethyl)-4-propan-2-ylpiperazine?
The canonical SMILES for (2S)-1-butan-2-yl-2-(difluoromethyl)-4-propan-2-ylpiperazine is CCC(C)N1CCN(C(C)C)C[C@H]1C(F)F.
What is the InChIKey of (2S)-1-butan-2-yl-2-(difluoromethyl)-4-propan-2-ylpiperazine?
The InChIKey is AGFIFWMVBMHLJJ-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H24F2N2/c1-5-10(4)16-7-6-15(9(2)3)8-11(16)12(13)14/h9-12H,5-8H2,1-4H3/t10?,11-/m0/s1.
What are the key properties of (2S)-1-butan-2-yl-2-(difluoromethyl)-4-propan-2-ylpiperazine?
(2S)-1-butan-2-yl-2-(difluoromethyl)-4-propan-2-ylpiperazine has a molecular weight of 234.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-butan-2-yl-2-(difluoromethyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 176559079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).