1-[(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;1-cyclohexyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;methane;1-methyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine

C120H160N32 — CID 167687220

IUPAC1-[(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;1-cyclohexyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;methane;1-methyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
SMILESC.C.CN1CCN(C(c2cccnc2)c2nnnn2Cc2ccccc2)CC1.Cc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C)CC2)cc1.Cc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.Cc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.c1ccc(Cn2nnnc2C(c2cccnc2)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C27H36N6.C26H34N6.C24H31N7.C22H28N6.C19H23N7.2CH4/c1-22-12-14-24(15-13-22)26(32-20-18-31(19-21-32)25-10-6-3-7-11-25)27-28-29-30-33(27)17-16-23-8-4-2-5-9-23;1-21-12-14-23(15-13-21)25(26-27-28-29-32(26)20-22-8-4-2-5-9-22)31-18-16-30(17-19-31)24-10-6-3-7-11-24;1-3-8-20(9-4-1)19-31-24(26-27-28-31)23(21-10-7-13-25-18-21)30-16-14-29(15-17-30)22-11-5-2-6-12-22;1-18-8-10-20(11-9-18)21(27-16-14-26(2)15-17-27)22-23-24-25-28(22)13-12-19-6-4-3-5-7-19;1-24-10-12-25(13-11-24)18(17-8-5-9-20-14-17)19-21-22-23-26(19)15-16-6-3-2-4-7-16;;/h2,4-5,8-9,12-15,25-26H,3,6-7,10-11,16-21H2,1H3;2,4-5,8-9,12-15,24-25H,3,6-7,10-11,16-20H2,1H3;1,3-4,7-10,13,18,22-23H,2,5-6,11-12,14-17,19H2;3-11,21H,12-17H2,1-2H3;2-9,14,18H,10-13,15H2,1H3;2*1H4
InChIKeyWJTMBLAEDSYZCW-UHFFFAOYSA-N
MW2050.82 g/mol
LogP16.78
Rot. Bonds30

About 1-[(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;1-cyclohexyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;methane;1-methyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine

1-[(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;1-cyclohexyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;methane;1-methyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 167687220) has the molecular formula C120H160N32 and a molecular weight of 2050.82 g/mol. Its IUPAC name is 1-[(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;1-cyclohexyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;methane;1-methyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;1-cyclohexyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;methane;1-methyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
PubChem CID167687220
Molecular FormulaC120H160N32
Molecular Weight2050.82 g/mol
Exact Mass2049.35
IUPAC Name1-[(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;1-cyclohexyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;methane;1-methyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
SMILESC.C.CN1CCN(C(c2cccnc2)c2nnnn2Cc2ccccc2)CC1.Cc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C)CC2)cc1.Cc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.Cc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.c1ccc(Cn2nnnc2C(c2cccnc2)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C27H36N6.C26H34N6.C24H31N7.C22H28N6.C19H23N7.2CH4/c1-22-12-14-24(15-13-22)26(32-20-18-31(19-21-32)25-10-6-3-7-11-25)27-28-29-30-33(27)17-16-23-8-4-2-5-9-23;1-21-12-14-23(15-13-21)25(26-27-28-29-32(26)20-22-8-4-2-5-9-22)31-18-16-30(17-19-31)24-10-6-3-7-11-24;1-3-8-20(9-4-1)19-31-24(26-27-28-31)23(21-10-7-13-25-18-21)30-16-14-29(15-17-30)22-11-5-2-6-12-22;1-18-8-10-20(11-9-18)21(27-16-14-26(2)15-17-27)22-23-24-25-28(22)13-12-19-6-4-3-5-7-19;1-24-10-12-25(13-11-24)18(17-8-5-9-20-14-17)19-21-22-23-26(19)15-16-6-3-2-4-7-16;;/h2,4-5,8-9,12-15,25-26H,3,6-7,10-11,16-21H2,1H3;2,4-5,8-9,12-15,24-25H,3,6-7,10-11,16-20H2,1H3;1,3-4,7-10,13,18,22-23H,2,5-6,11-12,14-17,19H2;3-11,21H,12-17H2,1-2H3;2-9,14,18H,10-13,15H2,1H3;2*1H4
InChIKeyWJTMBLAEDSYZCW-UHFFFAOYSA-N
XLogP16.78
TPSA276.18 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds30
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002050.82
LogP ≤ 516.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 1-[(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;1-cyclohexyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;methane;1-methyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine with MolForge

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Related Compounds

1-cyclopentyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 3210504
1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;deuteriomethane
CID 167557248
(8aS)-2-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124766331
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine;deuteriomethane
CID 167662608
1-[(R)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine
CID 1449106
1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclohexylpiperazine
CID 3209694
1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-cyclopentylpiperazine
CID 3209706
1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclopentylpiperazine
CID 3209716
1-[(S)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-cyclohexylpiperazine
CID 1446271
1-cyclohexyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine
CID 3213458
3-[(R)-(4-benzylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]pyridine
CID 1435783
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride
CID 171668058

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;1-cyclohexyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;methane;1-methyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-[(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;1-cyclohexyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;methane;1-methyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine (CID 167687220) is 1-[(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;1-cyclohexyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;methane;1-methyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-[(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;1-cyclohexyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;methane;1-methyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-[(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;1-cyclohexyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;methane;1-methyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine is C.C.CN1CCN(C(c2cccnc2)c2nnnn2Cc2ccccc2)CC1.Cc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C)CC2)cc1.Cc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.Cc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.c1ccc(Cn2nnnc2C(c2cccnc2)N2CCN(C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-[(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;1-cyclohexyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;methane;1-methyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is WJTMBLAEDSYZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6.C26H34N6.C24H31N7.C22H28N6.C19H23N7.2CH4/c1-22-12-14-24(15-13-22)26(32-20-18-31(19-21-32)25-10-6-3-7-11-25)27-28-29-30-33(27)17-16-23-8-4-2-5-9-23;1-21-12-14-23(15-13-21)25(26-27-28-29-32(26)20-22-8-4-2-5-9-22)31-18-16-30(17-19-31)24-10-6-3-7-11-24;1-3-8-20(9-4-1)19-31-24(26-27-28-31)23(21-10-7-13-25-18-21)30-16-14-29(15-17-30)22-11-5-2-6-12-22;1-18-8-10-20(11-9-18)21(27-16-14-26(2)15-17-27)22-23-24-25-28(22)13-12-19-6-4-3-5-7-19;1-24-10-12-25(13-11-24)18(17-8-5-9-20-14-17)19-21-22-23-26(19)15-16-6-3-2-4-7-16;;/h2,4-5,8-9,12-15,25-26H,3,6-7,10-11,16-21H2,1H3;2,4-5,8-9,12-15,24-25H,3,6-7,10-11,16-20H2,1H3;1,3-4,7-10,13,18,22-23H,2,5-6,11-12,14-17,19H2;3-11,21H,12-17H2,1-2H3;2-9,14,18H,10-13,15H2,1H3;2*1H4.
What are the key properties of 1-[(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;1-cyclohexyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;methane;1-methyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine?
1-[(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;1-cyclohexyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;methane;1-methyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 2050.82 g/mol, XLogP of 16.78, 30 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;1-cyclohexyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;methane;1-methyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 167687220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).