tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(difluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;N,N'-dimethyl-N'-propan-2-yl-N-pyridin-2-ylethane-1,2-diamine;N'-(2-fluoroethyl)-N-(4-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine;(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;(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-phenyl-4-propan-2-ylpiperazine

C149H228F17N25O2 — CID 158711334

IUPACtert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(difluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;N,N'-dimethyl-N'-propan-2-yl-N-pyridin-2-ylethane-1,2-diamine;N'-(2-fluoroethyl)-N-(4-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine;(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;(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-phenyl-4-propan-2-ylpiperazine
SMILESCC(C)N(C)CCN(C)c1ccccn1.CC(C)N(CCF)CCN(C)c1ccc(F)cc1.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)CC1C(F)F.CC(C)N1CCN(c2ccc(F)cc2)C[C@@H]1C.CC(C)N1CCN(c2ccc(F)cc2)C[C@H]1C.CC(C)N1CCN(c2ccccc2)CC1.CC(C)N1CCN(c2ccccc2)C[C@H]1C.CC(C)N1CCN(c2ccccn2)C[C@H]1C
InChIInChI=1S/C14H18F4N2.C14H20F3N3.C14H19F3N2.C14H22F2N2.2C14H21FN2.C14H22N2.C13H23F3N2O2.C13H21N3.C13H20N2.C12H21N3/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;1-10(2)19-8-7-18(9-13(19)14(16)17)12-5-3-11(15)4-6-12;1-12(2)18(9-8-15)11-10-17(3)14-6-4-13(16)5-7-14;2*1-11(2)17-9-8-16(10-12(17)3)14-6-4-13(15)5-7-14;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;1-12(2)14-8-10-15(11-9-14)13-6-4-3-5-7-13;1-11(2)14(3)9-10-15(4)12-7-5-6-8-13-12/h3-6,10,13H,7-9H2,1-2H3;4-5,8,10-11H,6-7,9H2,1-3H3;3-6,10,13-14H,7-9H2,1-2H3;4-7,12H,8-11H2,1-3H3;2*4-7,11-12H,8-10H2,1-3H3;4-8,12-13H,9-11H2,1-3H3;9-10H,6-8H2,1-5H3;4-7,11-12H,8-10H2,1-3H3;3-7,12H,8-11H2,1-2H3;5-8,11H,9-10H2,1-4H3/t;11-;;;2*12-;13-;;12-;;/m.1..101.1../s1
InChIKeyIITKDTPDFXQDBJ-OJBXQHEMSA-N
MW2724.60 g/mol
LogP29.29
Rot. Bonds30

About tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(difluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;N,N'-dimethyl-N'-propan-2-yl-N-pyridin-2-ylethane-1,2-diamine;N'-(2-fluoroethyl)-N-(4-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine;(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;(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-phenyl-4-propan-2-ylpiperazine

tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(difluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;N,N'-dimethyl-N'-propan-2-yl-N-pyridin-2-ylethane-1,2-diamine;N'-(2-fluoroethyl)-N-(4-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine;(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;(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-phenyl-4-propan-2-ylpiperazine (PubChem CID 158711334) has the molecular formula C149H228F17N25O2 and a molecular weight of 2724.60 g/mol. Its IUPAC name is tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(difluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;N,N'-dimethyl-N'-propan-2-yl-N-pyridin-2-ylethane-1,2-diamine;N'-(2-fluoroethyl)-N-(4-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine;(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;(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-phenyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Nametert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(difluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;N,N'-dimethyl-N'-propan-2-yl-N-pyridin-2-ylethane-1,2-diamine;N'-(2-fluoroethyl)-N-(4-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine;(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;(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-phenyl-4-propan-2-ylpiperazine
PubChem CID158711334
Molecular FormulaC149H228F17N25O2
Molecular Weight2724.60 g/mol
Exact Mass2722.82
IUPAC Nametert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(difluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;N,N'-dimethyl-N'-propan-2-yl-N-pyridin-2-ylethane-1,2-diamine;N'-(2-fluoroethyl)-N-(4-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine;(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;(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-phenyl-4-propan-2-ylpiperazine
SMILESCC(C)N(C)CCN(C)c1ccccn1.CC(C)N(CCF)CCN(C)c1ccc(F)cc1.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)CC1C(F)F.CC(C)N1CCN(c2ccc(F)cc2)C[C@@H]1C.CC(C)N1CCN(c2ccc(F)cc2)C[C@H]1C.CC(C)N1CCN(c2ccccc2)CC1.CC(C)N1CCN(c2ccccc2)C[C@H]1C.CC(C)N1CCN(c2ccccn2)C[C@H]1C
InChIInChI=1S/C14H18F4N2.C14H20F3N3.C14H19F3N2.C14H22F2N2.2C14H21FN2.C14H22N2.C13H23F3N2O2.C13H21N3.C13H20N2.C12H21N3/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;1-10(2)19-8-7-18(9-13(19)14(16)17)12-5-3-11(15)4-6-12;1-12(2)18(9-8-15)11-10-17(3)14-6-4-13(16)5-7-14;2*1-11(2)17-9-8-16(10-12(17)3)14-6-4-13(15)5-7-14;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;1-12(2)14-8-10-15(11-9-14)13-6-4-3-5-7-13;1-11(2)14(3)9-10-15(4)12-7-5-6-8-13-12/h3-6,10,13H,7-9H2,1-2H3;4-5,8,10-11H,6-7,9H2,1-3H3;3-6,10,13-14H,7-9H2,1-2H3;4-7,12H,8-11H2,1-3H3;2*4-7,11-12H,8-10H2,1-3H3;4-8,12-13H,9-11H2,1-3H3;9-10H,6-8H2,1-5H3;4-7,11-12H,8-10H2,1-3H3;3-7,12H,8-11H2,1-2H3;5-8,11H,9-10H2,1-4H3/t;11-;;;2*12-;13-;;12-;;/m.1..101.1../s1
InChIKeyIITKDTPDFXQDBJ-OJBXQHEMSA-N
XLogP29.29
TPSA136.25 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds30
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002724.60
LogP ≤ 529.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(difluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;N,N'-dimethyl-N'-propan-2-yl-N-pyridin-2-ylethane-1,2-diamine;N'-(2-fluoroethyl)-N-(4-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine;(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;(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-phenyl-4-propan-2-ylpiperazine with MolForge

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Launch Full Analysis

Related Compounds

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Tert-butyl 4-[6-[2-(cyclohexylmethyl)-4-pyridinyl]-4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
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4-[2'-Cyclohexylamino-3-(4-fluorophenyl)-[2,4']bipyridinyl-6-yl]-piperazine-1-carboxylic acid tert-butyl ester
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Tert-butyl 4-[6-[2-(cyclohexylmethyl)-4-pyridinyl]-4-(difluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 58229770
Tert-butyl 4-[4-[6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]pyridin-2-yl]piperazine-1-carboxylate
CID 67128169
Tert-butyl 4-[4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridin-2-yl]piperazine-1-carboxylate
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Tert-butyl 4-[5-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-2-pyridinyl]piperazine-1-carboxylate
CID 68048215
Tert-butyl 4-(5-{[5-(trifluoromethyl)pyridin-2-yl]ethynyl}pyridin-2-yl)piperazine-1-carboxylate
CID 69606756
Tert-butyl 4-[[2-[2-[2-(2,3-difluorophenyl)ethyl]-4-methylidene-1,8-naphthyridin-1-yl]acetyl]-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]piperidine-1-carboxylate
CID 89000874
tert-butyl (2S)-4-[[4-[1-[6-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]ethenyl-methylamino]phenyl]methyl]-2-methylpiperazine-1-carboxylate
CID 89299227
tert-butyl N-[(3S)-1-[3-(difluoromethyl)-6-[[5-methanimidoyl-2-(6-methylpyrazin-2-yl)-4-pyridinyl]amino]-2-pyridinyl]piperidin-3-yl]carbamate
CID 135293558
tert-butyl 4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-3-oxopiperazine-1-carboxylate
CID 139367493

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(difluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;N,N'-dimethyl-N'-propan-2-yl-N-pyridin-2-ylethane-1,2-diamine;N'-(2-fluoroethyl)-N-(4-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine;(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;(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-phenyl-4-propan-2-ylpiperazine?
The IUPAC name of tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(difluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;N,N'-dimethyl-N'-propan-2-yl-N-pyridin-2-ylethane-1,2-diamine;N'-(2-fluoroethyl)-N-(4-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine;(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;(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-phenyl-4-propan-2-ylpiperazine (CID 158711334) is tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(difluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;N,N'-dimethyl-N'-propan-2-yl-N-pyridin-2-ylethane-1,2-diamine;N'-(2-fluoroethyl)-N-(4-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine;(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;(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-phenyl-4-propan-2-ylpiperazine.
What is the SMILES notation for tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(difluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;N,N'-dimethyl-N'-propan-2-yl-N-pyridin-2-ylethane-1,2-diamine;N'-(2-fluoroethyl)-N-(4-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine;(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;(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-phenyl-4-propan-2-ylpiperazine?
The canonical SMILES for tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(difluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;N,N'-dimethyl-N'-propan-2-yl-N-pyridin-2-ylethane-1,2-diamine;N'-(2-fluoroethyl)-N-(4-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine;(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;(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-phenyl-4-propan-2-ylpiperazine is CC(C)N(C)CCN(C)c1ccccn1.CC(C)N(CCF)CCN(C)c1ccc(F)cc1.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)CC1C(F)F.CC(C)N1CCN(c2ccc(F)cc2)C[C@@H]1C.CC(C)N1CCN(c2ccc(F)cc2)C[C@H]1C.CC(C)N1CCN(c2ccccc2)CC1.CC(C)N1CCN(c2ccccc2)C[C@H]1C.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-(difluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;N,N'-dimethyl-N'-propan-2-yl-N-pyridin-2-ylethane-1,2-diamine;N'-(2-fluoroethyl)-N-(4-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine;(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;(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-phenyl-4-propan-2-ylpiperazine?
The InChIKey is IITKDTPDFXQDBJ-OJBXQHEMSA-N. The full InChI is InChI=1S/C14H18F4N2.C14H20F3N3.C14H19F3N2.C14H22F2N2.2C14H21FN2.C14H22N2.C13H23F3N2O2.C13H21N3.C13H20N2.C12H21N3/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;1-10(2)19-8-7-18(9-13(19)14(16)17)12-5-3-11(15)4-6-12;1-12(2)18(9-8-15)11-10-17(3)14-6-4-13(16)5-7-14;2*1-11(2)17-9-8-16(10-12(17)3)14-6-4-13(15)5-7-14;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;1-12(2)14-8-10-15(11-9-14)13-6-4-3-5-7-13;1-11(2)14(3)9-10-15(4)12-7-5-6-8-13-12/h3-6,10,13H,7-9H2,1-2H3;4-5,8,10-11H,6-7,9H2,1-3H3;3-6,10,13-14H,7-9H2,1-2H3;4-7,12H,8-11H2,1-3H3;2*4-7,11-12H,8-10H2,1-3H3;4-8,12-13H,9-11H2,1-3H3;9-10H,6-8H2,1-5H3;4-7,11-12H,8-10H2,1-3H3;3-7,12H,8-11H2,1-2H3;5-8,11H,9-10H2,1-4H3/t;11-;;;2*12-;13-;;12-;;/m.1..101.1../s1.
What are the key properties of tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(difluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;N,N'-dimethyl-N'-propan-2-yl-N-pyridin-2-ylethane-1,2-diamine;N'-(2-fluoroethyl)-N-(4-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine;(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;(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-phenyl-4-propan-2-ylpiperazine?
tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(difluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;N,N'-dimethyl-N'-propan-2-yl-N-pyridin-2-ylethane-1,2-diamine;N'-(2-fluoroethyl)-N-(4-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine;(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;(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-phenyl-4-propan-2-ylpiperazine has a molecular weight of 2724.60 g/mol, XLogP of 29.29, 30 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-propan-2-yl-3-(trifluoromethyl)piperazine-1-carboxylate;2-(difluoromethyl)-4-(4-fluorophenyl)-1-propan-2-ylpiperazine;N,N'-dimethyl-N'-propan-2-yl-N-pyridin-2-ylethane-1,2-diamine;N'-(2-fluoroethyl)-N-(4-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine;(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;(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-phenyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 158711334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).