tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(fluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;(2R)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;(2S)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;4-(4-fluorophenyl)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-pyridin-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine;1-propan-2-yl-4-pyridin-2-ylpiperazine

C136H207F14N23O2 — CID 158885001

IUPACtert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(fluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;(2R)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;(2S)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;4-(4-fluorophenyl)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-pyridin-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine;1-propan-2-yl-4-pyridin-2-ylpiperazine
SMILESCC(C)N1CCN(C(=O)OC(C)(C)C)CC1C(F)(F)F.CC(C)N1CCN(c2ccc(C(F)(F)F)cn2)C[C@H]1C.CC(C)N1CCN(c2ccc(F)cc2)CC1C(F)(F)F.CC(C)N1CCN(c2ccc(F)cc2)CC1CF.CC(C)N1CCN(c2ccc(F)cc2)C[C@@H]1C.CC(C)N1CCN(c2ccc(F)cc2)C[C@H]1C.CC(C)N1CCN(c2ccccc2)C[C@@H]1C.CC(C)N1CCN(c2ccccc2)C[C@H]1C.CC(C)N1CCN(c2ccccn2)CC1.CC(C)N1CCN(c2ccccn2)C[C@H]1C
InChIInChI=1S/C14H18F4N2.C14H20F3N3.C14H20F2N2.2C14H21FN2.2C14H22N2.C13H23F3N2O2.C13H21N3.C12H19N3/c1-10(2)20-8-7-19(9-13(20)14(16,17)18)12-5-3-11(15)4-6-12;1-10(2)20-7-6-19(9-11(20)3)13-5-4-12(8-18-13)14(15,16)17;1-11(2)18-8-7-17(10-14(18)9-15)13-5-3-12(16)4-6-13;2*1-11(2)17-9-8-16(10-12(17)3)14-6-4-13(15)5-7-14;2*1-12(2)16-10-9-15(11-13(16)3)14-7-5-4-6-8-14;1-9(2)18-7-6-17(8-10(18)13(14,15)16)11(19)20-12(3,4)5;1-11(2)16-9-8-15(10-12(16)3)13-6-4-5-7-14-13;1-11(2)14-7-9-15(10-8-14)12-5-3-4-6-13-12/h3-6,10,13H,7-9H2,1-2H3;4-5,8,10-11H,6-7,9H2,1-3H3;3-6,11,14H,7-10H2,1-2H3;2*4-7,11-12H,8-10H2,1-3H3;2*4-8,12-13H,9-11H2,1-3H3;9-10H,6-8H2,1-5H3;4-7,11-12H,8-10H2,1-3H3;3-6,11H,7-10H2,1-2H3/t;11-;;2*12-;2*13-;;12-;/m.1.1010.1./s1
InChIKeyJDNBXTFUAJCAIK-UEZGUDIKSA-N
MW2462.28 g/mol
LogP26.19
Rot. Bonds20

About tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(fluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;(2R)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;(2S)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;4-(4-fluorophenyl)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-pyridin-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine;1-propan-2-yl-4-pyridin-2-ylpiperazine

tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(fluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;(2R)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;(2S)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;4-(4-fluorophenyl)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-pyridin-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine;1-propan-2-yl-4-pyridin-2-ylpiperazine (PubChem CID 158885001) has the molecular formula C136H207F14N23O2 and a molecular weight of 2462.28 g/mol. Its IUPAC name is tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(fluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;(2R)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;(2S)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;4-(4-fluorophenyl)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-pyridin-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine;1-propan-2-yl-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Nametert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(fluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;(2R)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;(2S)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;4-(4-fluorophenyl)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-pyridin-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine;1-propan-2-yl-4-pyridin-2-ylpiperazine
PubChem CID158885001
Molecular FormulaC136H207F14N23O2
Molecular Weight2462.28 g/mol
Exact Mass2460.66
IUPAC Nametert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(fluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;(2R)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;(2S)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;4-(4-fluorophenyl)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-pyridin-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine;1-propan-2-yl-4-pyridin-2-ylpiperazine
SMILESCC(C)N1CCN(C(=O)OC(C)(C)C)CC1C(F)(F)F.CC(C)N1CCN(c2ccc(C(F)(F)F)cn2)C[C@H]1C.CC(C)N1CCN(c2ccc(F)cc2)CC1C(F)(F)F.CC(C)N1CCN(c2ccc(F)cc2)CC1CF.CC(C)N1CCN(c2ccc(F)cc2)C[C@@H]1C.CC(C)N1CCN(c2ccc(F)cc2)C[C@H]1C.CC(C)N1CCN(c2ccccc2)C[C@@H]1C.CC(C)N1CCN(c2ccccc2)C[C@H]1C.CC(C)N1CCN(c2ccccn2)CC1.CC(C)N1CCN(c2ccccn2)C[C@H]1C
InChIInChI=1S/C14H18F4N2.C14H20F3N3.C14H20F2N2.2C14H21FN2.2C14H22N2.C13H23F3N2O2.C13H21N3.C12H19N3/c1-10(2)20-8-7-19(9-13(20)14(16,17)18)12-5-3-11(15)4-6-12;1-10(2)20-7-6-19(9-11(20)3)13-5-4-12(8-18-13)14(15,16)17;1-11(2)18-8-7-17(10-14(18)9-15)13-5-3-12(16)4-6-13;2*1-11(2)17-9-8-16(10-12(17)3)14-6-4-13(15)5-7-14;2*1-12(2)16-10-9-15(11-13(16)3)14-7-5-4-6-8-14;1-9(2)18-7-6-17(8-10(18)13(14,15)16)11(19)20-12(3,4)5;1-11(2)16-9-8-15(10-12(16)3)13-6-4-5-7-14-13;1-11(2)14-7-9-15(10-8-14)12-5-3-4-6-13-12/h3-6,10,13H,7-9H2,1-2H3;4-5,8,10-11H,6-7,9H2,1-3H3;3-6,11,14H,7-10H2,1-2H3;2*4-7,11-12H,8-10H2,1-3H3;2*4-8,12-13H,9-11H2,1-3H3;9-10H,6-8H2,1-5H3;4-7,11-12H,8-10H2,1-3H3;3-6,11H,7-10H2,1-2H3/t;11-;;2*12-;2*13-;;12-;/m.1.1010.1./s1
InChIKeyJDNBXTFUAJCAIK-UEZGUDIKSA-N
XLogP26.19
TPSA129.77 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms175
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002462.28
LogP ≤ 526.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(fluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;(2R)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;(2S)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;4-(4-fluorophenyl)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-pyridin-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine;1-propan-2-yl-4-pyridin-2-ylpiperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(fluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;(2R)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;(2S)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;4-(4-fluorophenyl)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-pyridin-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine;1-propan-2-yl-4-pyridin-2-ylpiperazine?
The IUPAC name of tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(fluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;(2R)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;(2S)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;4-(4-fluorophenyl)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-pyridin-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine;1-propan-2-yl-4-pyridin-2-ylpiperazine (CID 158885001) is tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(fluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;(2R)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;(2S)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;4-(4-fluorophenyl)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-pyridin-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine;1-propan-2-yl-4-pyridin-2-ylpiperazine.
What is the SMILES notation for tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(fluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;(2R)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;(2S)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;4-(4-fluorophenyl)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-pyridin-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine;1-propan-2-yl-4-pyridin-2-ylpiperazine?
The canonical SMILES for tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(fluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;(2R)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;(2S)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;4-(4-fluorophenyl)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-pyridin-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine;1-propan-2-yl-4-pyridin-2-ylpiperazine is CC(C)N1CCN(C(=O)OC(C)(C)C)CC1C(F)(F)F.CC(C)N1CCN(c2ccc(C(F)(F)F)cn2)C[C@H]1C.CC(C)N1CCN(c2ccc(F)cc2)CC1C(F)(F)F.CC(C)N1CCN(c2ccc(F)cc2)CC1CF.CC(C)N1CCN(c2ccc(F)cc2)C[C@@H]1C.CC(C)N1CCN(c2ccc(F)cc2)C[C@H]1C.CC(C)N1CCN(c2ccccc2)C[C@@H]1C.CC(C)N1CCN(c2ccccc2)C[C@H]1C.CC(C)N1CCN(c2ccccn2)CC1.CC(C)N1CCN(c2ccccn2)C[C@H]1C.
What is the InChIKey of tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(fluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;(2R)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;(2S)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;4-(4-fluorophenyl)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-pyridin-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine;1-propan-2-yl-4-pyridin-2-ylpiperazine?
The InChIKey is JDNBXTFUAJCAIK-UEZGUDIKSA-N. The full InChI is InChI=1S/C14H18F4N2.C14H20F3N3.C14H20F2N2.2C14H21FN2.2C14H22N2.C13H23F3N2O2.C13H21N3.C12H19N3/c1-10(2)20-8-7-19(9-13(20)14(16,17)18)12-5-3-11(15)4-6-12;1-10(2)20-7-6-19(9-11(20)3)13-5-4-12(8-18-13)14(15,16)17;1-11(2)18-8-7-17(10-14(18)9-15)13-5-3-12(16)4-6-13;2*1-11(2)17-9-8-16(10-12(17)3)14-6-4-13(15)5-7-14;2*1-12(2)16-10-9-15(11-13(16)3)14-7-5-4-6-8-14;1-9(2)18-7-6-17(8-10(18)13(14,15)16)11(19)20-12(3,4)5;1-11(2)16-9-8-15(10-12(16)3)13-6-4-5-7-14-13;1-11(2)14-7-9-15(10-8-14)12-5-3-4-6-13-12/h3-6,10,13H,7-9H2,1-2H3;4-5,8,10-11H,6-7,9H2,1-3H3;3-6,11,14H,7-10H2,1-2H3;2*4-7,11-12H,8-10H2,1-3H3;2*4-8,12-13H,9-11H2,1-3H3;9-10H,6-8H2,1-5H3;4-7,11-12H,8-10H2,1-3H3;3-6,11H,7-10H2,1-2H3/t;11-;;2*12-;2*13-;;12-;/m.1.1010.1./s1.
What are the key properties of tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(fluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;(2R)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;(2S)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;4-(4-fluorophenyl)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-pyridin-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine;1-propan-2-yl-4-pyridin-2-ylpiperazine?
tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(fluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;(2R)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;(2S)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;4-(4-fluorophenyl)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-pyridin-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine;1-propan-2-yl-4-pyridin-2-ylpiperazine has a molecular weight of 2462.28 g/mol, XLogP of 26.19, 20 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(fluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;(2R)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;(2S)-4-(4-fluorophenyl)-2-methyl-1-propan-2-ylpiperazine;4-(4-fluorophenyl)-1-propan-2-yl-2-(trifluoromethyl)piperazine;(2R)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-phenyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-pyridin-2-ylpiperazine;(2R)-2-methyl-1-propan-2-yl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine;1-propan-2-yl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 158885001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).