cyclohexylbenzene;1-(2-ethoxyphenyl)piperazine;1-methylpiperazine;2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)phenol;4-(2-phenylazetidin-1-yl)piperidine;4-phenyl-1-piperidin-4-ylazetidin-2-one;2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-(2-phenylpyrrolidin-1-yl)piperidine;5-piperidin-4-yl-3-pyridin-3-yl-1,2,4-oxadiazole;1-[2-(trifluoromethyl)phenyl]piperazine;1-[3-(trifluoromethyl)-2-pyridinyl]piperazine

C152H198F6N28O5 — CID 159303716

IUPACcyclohexylbenzene;1-(2-ethoxyphenyl)piperazine;1-methylpiperazine;2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)phenol;4-(2-phenylazetidin-1-yl)piperidine;4-phenyl-1-piperidin-4-ylazetidin-2-one;2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-(2-phenylpyrrolidin-1-yl)piperidine;5-piperidin-4-yl-3-pyridin-3-yl-1,2,4-oxadiazole;1-[2-(trifluoromethyl)phenyl]piperazine;1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCCOc1ccccc1N1CCNCC1.CN1CCNCC1.Cc1cc(-c2ccccc2O)nc(N2CCNCC2)n1.FC(F)(F)c1ccccc1N1CCNCC1.FC(F)(F)c1cccnc1N1CCNCC1.O=C1CC(c2ccccc2)N1C1CCNCC1.c1ccc(-c2[nH]c3ccccc3c2C2CCNCC2)cc1.c1ccc(-c2nnc(C3CCNCC3)o2)cc1.c1ccc(C2CCCCC2)cc1.c1ccc(C2CCCN2C2CCNCC2)cc1.c1ccc(C2CCN2C2CCNCC2)cc1.c1cncc(-c2noc(C3CCNCC3)n2)c1
InChIInChI=1S/C19H20N2.C15H18N4O.C15H22N2.C14H18N2O.C14H20N2.C13H15N3O.C12H14N4O.C12H18N2O.C12H16.C11H13F3N2.C10H12F3N3.C5H12N2/c1-2-6-15(7-3-1)19-18(14-10-12-20-13-11-14)16-8-4-5-9-17(16)21-19;1-11-10-13(12-4-2-3-5-14(12)20)18-15(17-11)19-8-6-16-7-9-19;1-2-5-13(6-3-1)15-7-4-12-17(15)14-8-10-16-11-9-14;17-14-10-13(11-4-2-1-3-5-11)16(14)12-6-8-15-9-7-12;1-2-4-12(5-3-1)14-8-11-16(14)13-6-9-15-10-7-13;1-2-4-10(5-3-1)12-15-16-13(17-12)11-6-8-14-9-7-11;1-2-10(8-14-5-1)11-15-12(17-16-11)9-3-6-13-7-4-9;1-2-15-12-6-4-3-5-11(12)14-9-7-13-8-10-14;1-3-7-11(8-4-1)12-9-5-2-6-10-12;12-11(13,14)9-3-1-2-4-10(9)16-7-5-15-6-8-16;11-10(12,13)8-2-1-3-15-9(8)16-6-4-14-5-7-16;1-7-4-2-6-3-5-7/h1-9,14,20-21H,10-13H2;2-5,10,16,20H,6-9H2,1H3;1-3,5-6,14-16H,4,7-12H2;1-5,12-13,15H,6-10H2;1-5,13-15H,6-11H2;1-5,11,14H,6-9H2;1-2,5,8-9,13H,3-4,6-7H2;3-6,13H,2,7-10H2,1H3;1,3-4,7-8,12H,2,5-6,9-10H2;1-4,15H,5-8H2;1-3,14H,4-7H2;6H,2-5H2,1H3
InChIKeyLBQMQVMZJUNDJV-UHFFFAOYSA-N
MW2611.43 g/mol
LogP24.52
Rot. Bonds20

About cyclohexylbenzene;1-(2-ethoxyphenyl)piperazine;1-methylpiperazine;2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)phenol;4-(2-phenylazetidin-1-yl)piperidine;4-phenyl-1-piperidin-4-ylazetidin-2-one;2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-(2-phenylpyrrolidin-1-yl)piperidine;5-piperidin-4-yl-3-pyridin-3-yl-1,2,4-oxadiazole;1-[2-(trifluoromethyl)phenyl]piperazine;1-[3-(trifluoromethyl)-2-pyridinyl]piperazine

cyclohexylbenzene;1-(2-ethoxyphenyl)piperazine;1-methylpiperazine;2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)phenol;4-(2-phenylazetidin-1-yl)piperidine;4-phenyl-1-piperidin-4-ylazetidin-2-one;2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-(2-phenylpyrrolidin-1-yl)piperidine;5-piperidin-4-yl-3-pyridin-3-yl-1,2,4-oxadiazole;1-[2-(trifluoromethyl)phenyl]piperazine;1-[3-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 159303716) has the molecular formula C152H198F6N28O5 and a molecular weight of 2611.43 g/mol. Its IUPAC name is cyclohexylbenzene;1-(2-ethoxyphenyl)piperazine;1-methylpiperazine;2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)phenol;4-(2-phenylazetidin-1-yl)piperidine;4-phenyl-1-piperidin-4-ylazetidin-2-one;2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-(2-phenylpyrrolidin-1-yl)piperidine;5-piperidin-4-yl-3-pyridin-3-yl-1,2,4-oxadiazole;1-[2-(trifluoromethyl)phenyl]piperazine;1-[3-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Namecyclohexylbenzene;1-(2-ethoxyphenyl)piperazine;1-methylpiperazine;2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)phenol;4-(2-phenylazetidin-1-yl)piperidine;4-phenyl-1-piperidin-4-ylazetidin-2-one;2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-(2-phenylpyrrolidin-1-yl)piperidine;5-piperidin-4-yl-3-pyridin-3-yl-1,2,4-oxadiazole;1-[2-(trifluoromethyl)phenyl]piperazine;1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID159303716
Molecular FormulaC152H198F6N28O5
Molecular Weight2611.43 g/mol
Exact Mass2609.60
IUPAC Namecyclohexylbenzene;1-(2-ethoxyphenyl)piperazine;1-methylpiperazine;2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)phenol;4-(2-phenylazetidin-1-yl)piperidine;4-phenyl-1-piperidin-4-ylazetidin-2-one;2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-(2-phenylpyrrolidin-1-yl)piperidine;5-piperidin-4-yl-3-pyridin-3-yl-1,2,4-oxadiazole;1-[2-(trifluoromethyl)phenyl]piperazine;1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCCOc1ccccc1N1CCNCC1.CN1CCNCC1.Cc1cc(-c2ccccc2O)nc(N2CCNCC2)n1.FC(F)(F)c1ccccc1N1CCNCC1.FC(F)(F)c1cccnc1N1CCNCC1.O=C1CC(c2ccccc2)N1C1CCNCC1.c1ccc(-c2[nH]c3ccccc3c2C2CCNCC2)cc1.c1ccc(-c2nnc(C3CCNCC3)o2)cc1.c1ccc(C2CCCCC2)cc1.c1ccc(C2CCCN2C2CCNCC2)cc1.c1ccc(C2CCN2C2CCNCC2)cc1.c1cncc(-c2noc(C3CCNCC3)n2)c1
InChIInChI=1S/C19H20N2.C15H18N4O.C15H22N2.C14H18N2O.C14H20N2.C13H15N3O.C12H14N4O.C12H18N2O.C12H16.C11H13F3N2.C10H12F3N3.C5H12N2/c1-2-6-15(7-3-1)19-18(14-10-12-20-13-11-14)16-8-4-5-9-17(16)21-19;1-11-10-13(12-4-2-3-5-14(12)20)18-15(17-11)19-8-6-16-7-9-19;1-2-5-13(6-3-1)15-7-4-12-17(15)14-8-10-16-11-9-14;17-14-10-13(11-4-2-1-3-5-11)16(14)12-6-8-15-9-7-12;1-2-4-12(5-3-1)14-8-11-16(14)13-6-9-15-10-7-13;1-2-4-10(5-3-1)12-15-16-13(17-12)11-6-8-14-9-7-11;1-2-10(8-14-5-1)11-15-12(17-16-11)9-3-6-13-7-4-9;1-2-15-12-6-4-3-5-11(12)14-9-7-13-8-10-14;1-3-7-11(8-4-1)12-9-5-2-6-10-12;12-11(13,14)9-3-1-2-4-10(9)16-7-5-15-6-8-16;11-10(12,13)8-2-1-3-15-9(8)16-6-4-14-5-7-16;1-7-4-2-6-3-5-7/h1-9,14,20-21H,10-13H2;2-5,10,16,20H,6-9H2,1H3;1-3,5-6,14-16H,4,7-12H2;1-5,12-13,15H,6-10H2;1-5,13-15H,6-11H2;1-5,11,14H,6-9H2;1-2,5,8-9,13H,3-4,6-7H2;3-6,13H,2,7-10H2,1H3;1,3-4,7-8,12H,2,5-6,9-10H2;1-4,15H,5-8H2;1-3,14H,4-7H2;6H,2-5H2,1H3
InChIKeyLBQMQVMZJUNDJV-UHFFFAOYSA-N
XLogP24.52
TPSA349.97 Ų
H-Bond Donors13
H-Bond Acceptors31
Rotatable Bonds20
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002611.43
LogP ≤ 524.52
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1031

Analyze cyclohexylbenzene;1-(2-ethoxyphenyl)piperazine;1-methylpiperazine;2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)phenol;4-(2-phenylazetidin-1-yl)piperidine;4-phenyl-1-piperidin-4-ylazetidin-2-one;2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-(2-phenylpyrrolidin-1-yl)piperidine;5-piperidin-4-yl-3-pyridin-3-yl-1,2,4-oxadiazole;1-[2-(trifluoromethyl)phenyl]piperazine;1-[3-(trifluoromethyl)-2-pyridinyl]piperazine with MolForge

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Launch Full Analysis

Related Compounds

cyclohexylbenzene;1-(2-ethoxyphenyl)piperazine;ethyl 2-piperazin-1-ylpyridine-3-carboxylate;1-methylpiperazine;2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)phenol;2-phenyl-3-piperazin-1-ylinden-1-one;2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-(2-phenylpyrrolidin-1-yl)piperidine;5-piperidin-4-yl-3-pyridin-3-yl-1,2,4-oxadiazole;1-[2-(trifluoromethyl)phenyl]piperazine;1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 159218249
cyclohexylbenzene;1-(2-ethoxyphenyl)piperazine;ethyl 2-piperazin-1-ylpyridine-3-carboxylate;1-methylpiperazine;2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)phenol;2-phenyl-3-piperidin-4-ylinden-1-one;2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-(2-phenylpyrrolidin-1-yl)piperidine;5-piperidin-4-yl-3-pyridin-3-yl-1,2,4-oxadiazole;1-[2-(trifluoromethyl)phenyl]piperazine;1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 161333710

Frequently Asked Questions

What is the IUPAC name of cyclohexylbenzene;1-(2-ethoxyphenyl)piperazine;1-methylpiperazine;2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)phenol;4-(2-phenylazetidin-1-yl)piperidine;4-phenyl-1-piperidin-4-ylazetidin-2-one;2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-(2-phenylpyrrolidin-1-yl)piperidine;5-piperidin-4-yl-3-pyridin-3-yl-1,2,4-oxadiazole;1-[2-(trifluoromethyl)phenyl]piperazine;1-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of cyclohexylbenzene;1-(2-ethoxyphenyl)piperazine;1-methylpiperazine;2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)phenol;4-(2-phenylazetidin-1-yl)piperidine;4-phenyl-1-piperidin-4-ylazetidin-2-one;2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-(2-phenylpyrrolidin-1-yl)piperidine;5-piperidin-4-yl-3-pyridin-3-yl-1,2,4-oxadiazole;1-[2-(trifluoromethyl)phenyl]piperazine;1-[3-(trifluoromethyl)-2-pyridinyl]piperazine (CID 159303716) is cyclohexylbenzene;1-(2-ethoxyphenyl)piperazine;1-methylpiperazine;2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)phenol;4-(2-phenylazetidin-1-yl)piperidine;4-phenyl-1-piperidin-4-ylazetidin-2-one;2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-(2-phenylpyrrolidin-1-yl)piperidine;5-piperidin-4-yl-3-pyridin-3-yl-1,2,4-oxadiazole;1-[2-(trifluoromethyl)phenyl]piperazine;1-[3-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for cyclohexylbenzene;1-(2-ethoxyphenyl)piperazine;1-methylpiperazine;2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)phenol;4-(2-phenylazetidin-1-yl)piperidine;4-phenyl-1-piperidin-4-ylazetidin-2-one;2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-(2-phenylpyrrolidin-1-yl)piperidine;5-piperidin-4-yl-3-pyridin-3-yl-1,2,4-oxadiazole;1-[2-(trifluoromethyl)phenyl]piperazine;1-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for cyclohexylbenzene;1-(2-ethoxyphenyl)piperazine;1-methylpiperazine;2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)phenol;4-(2-phenylazetidin-1-yl)piperidine;4-phenyl-1-piperidin-4-ylazetidin-2-one;2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-(2-phenylpyrrolidin-1-yl)piperidine;5-piperidin-4-yl-3-pyridin-3-yl-1,2,4-oxadiazole;1-[2-(trifluoromethyl)phenyl]piperazine;1-[3-(trifluoromethyl)-2-pyridinyl]piperazine is CCOc1ccccc1N1CCNCC1.CN1CCNCC1.Cc1cc(-c2ccccc2O)nc(N2CCNCC2)n1.FC(F)(F)c1ccccc1N1CCNCC1.FC(F)(F)c1cccnc1N1CCNCC1.O=C1CC(c2ccccc2)N1C1CCNCC1.c1ccc(-c2[nH]c3ccccc3c2C2CCNCC2)cc1.c1ccc(-c2nnc(C3CCNCC3)o2)cc1.c1ccc(C2CCCCC2)cc1.c1ccc(C2CCCN2C2CCNCC2)cc1.c1ccc(C2CCN2C2CCNCC2)cc1.c1cncc(-c2noc(C3CCNCC3)n2)c1.
What is the InChIKey of cyclohexylbenzene;1-(2-ethoxyphenyl)piperazine;1-methylpiperazine;2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)phenol;4-(2-phenylazetidin-1-yl)piperidine;4-phenyl-1-piperidin-4-ylazetidin-2-one;2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-(2-phenylpyrrolidin-1-yl)piperidine;5-piperidin-4-yl-3-pyridin-3-yl-1,2,4-oxadiazole;1-[2-(trifluoromethyl)phenyl]piperazine;1-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is LBQMQVMZJUNDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2.C15H18N4O.C15H22N2.C14H18N2O.C14H20N2.C13H15N3O.C12H14N4O.C12H18N2O.C12H16.C11H13F3N2.C10H12F3N3.C5H12N2/c1-2-6-15(7-3-1)19-18(14-10-12-20-13-11-14)16-8-4-5-9-17(16)21-19;1-11-10-13(12-4-2-3-5-14(12)20)18-15(17-11)19-8-6-16-7-9-19;1-2-5-13(6-3-1)15-7-4-12-17(15)14-8-10-16-11-9-14;17-14-10-13(11-4-2-1-3-5-11)16(14)12-6-8-15-9-7-12;1-2-4-12(5-3-1)14-8-11-16(14)13-6-9-15-10-7-13;1-2-4-10(5-3-1)12-15-16-13(17-12)11-6-8-14-9-7-11;1-2-10(8-14-5-1)11-15-12(17-16-11)9-3-6-13-7-4-9;1-2-15-12-6-4-3-5-11(12)14-9-7-13-8-10-14;1-3-7-11(8-4-1)12-9-5-2-6-10-12;12-11(13,14)9-3-1-2-4-10(9)16-7-5-15-6-8-16;11-10(12,13)8-2-1-3-15-9(8)16-6-4-14-5-7-16;1-7-4-2-6-3-5-7/h1-9,14,20-21H,10-13H2;2-5,10,16,20H,6-9H2,1H3;1-3,5-6,14-16H,4,7-12H2;1-5,12-13,15H,6-10H2;1-5,13-15H,6-11H2;1-5,11,14H,6-9H2;1-2,5,8-9,13H,3-4,6-7H2;3-6,13H,2,7-10H2,1H3;1,3-4,7-8,12H,2,5-6,9-10H2;1-4,15H,5-8H2;1-3,14H,4-7H2;6H,2-5H2,1H3.
What are the key properties of cyclohexylbenzene;1-(2-ethoxyphenyl)piperazine;1-methylpiperazine;2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)phenol;4-(2-phenylazetidin-1-yl)piperidine;4-phenyl-1-piperidin-4-ylazetidin-2-one;2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-(2-phenylpyrrolidin-1-yl)piperidine;5-piperidin-4-yl-3-pyridin-3-yl-1,2,4-oxadiazole;1-[2-(trifluoromethyl)phenyl]piperazine;1-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
cyclohexylbenzene;1-(2-ethoxyphenyl)piperazine;1-methylpiperazine;2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)phenol;4-(2-phenylazetidin-1-yl)piperidine;4-phenyl-1-piperidin-4-ylazetidin-2-one;2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-(2-phenylpyrrolidin-1-yl)piperidine;5-piperidin-4-yl-3-pyridin-3-yl-1,2,4-oxadiazole;1-[2-(trifluoromethyl)phenyl]piperazine;1-[3-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 2611.43 g/mol, XLogP of 24.52, 20 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylbenzene;1-(2-ethoxyphenyl)piperazine;1-methylpiperazine;2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)phenol;4-(2-phenylazetidin-1-yl)piperidine;4-phenyl-1-piperidin-4-ylazetidin-2-one;2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-(2-phenylpyrrolidin-1-yl)piperidine;5-piperidin-4-yl-3-pyridin-3-yl-1,2,4-oxadiazole;1-[2-(trifluoromethyl)phenyl]piperazine;1-[3-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 159303716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).