1-cyclohexyl-4-methylbenzene;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;3,5-dimethyl-1-(4-methylphenyl)piperazine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-(4-methylphenyl)azepane;1-[2-(4-methylphenyl)ethyl]piperidine;1-(3-methylphenyl)piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;5-methyl-2-piperidin-1-ylpyridine;1-(5-methylthiophen-2-yl)piperidine

C132H199N19S — CID 159928593

About 1-cyclohexyl-4-methylbenzene;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;3,5-dimethyl-1-(4-methylphenyl)piperazine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-(4-methylphenyl)azepane;1-[2-(4-methylphenyl)ethyl]piperidine;1-(3-methylphenyl)piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;5-methyl-2-piperidin-1-ylpyridine;1-(5-methylthiophen-2-yl)piperidine

1-cyclohexyl-4-methylbenzene;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;3,5-dimethyl-1-(4-methylphenyl)piperazine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-(4-methylphenyl)azepane;1-[2-(4-methylphenyl)ethyl]piperidine;1-(3-methylphenyl)piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;5-methyl-2-piperidin-1-ylpyridine;1-(5-methylthiophen-2-yl)piperidine (PubChem CID 159928593) has the molecular formula C132H199N19S and a molecular weight of 2084.24 g/mol. Its IUPAC name is 1-cyclohexyl-4-methylbenzene;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;3,5-dimethyl-1-(4-methylphenyl)piperazine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-(4-methylphenyl)azepane;1-[2-(4-methylphenyl)ethyl]piperidine;1-(3-methylphenyl)piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;5-methyl-2-piperidin-1-ylpyridine;1-(5-methylthiophen-2-yl)piperidine.

Molecular Properties

• Compound Name: 1-cyclohexyl-4-methylbenzene;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;3,5-dimethyl-1-(4-methylphenyl)piperazine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-(4-methylphenyl)azepane;1-[2-(4-methylphenyl)ethyl]piperidine;1-(3-methylphenyl)piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;5-methyl-2-piperidin-1-ylpyridine;1-(5-methylthiophen-2-yl)piperidine
• PubChem CID: 159928593
• Molecular Formula: C132H199N19S
• Molecular Weight: 2084.24 g/mol
• Exact Mass: 2082.59
• IUPAC Name: 1-cyclohexyl-4-methylbenzene;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;3,5-dimethyl-1-(4-methylphenyl)piperazine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-(4-methylphenyl)azepane;1-[2-(4-methylphenyl)ethyl]piperidine;1-(3-methylphenyl)piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;5-methyl-2-piperidin-1-ylpyridine;1-(5-methylthiophen-2-yl)piperidine
• SMILES: Cc1ccc(C2CCCCC2)cc1.Cc1ccc(CCN2CCCCC2)cc1.Cc1ccc(N2CC(C)NC(C)C2)cc1.Cc1ccc(N2CCCCC2)nc1.Cc1ccc(N2CCCCC2)s1.Cc1ccc(N2CCCCCC2)cc1.Cc1ccc(N2CCN(C(C)C)CC2)cc1.Cc1ccc(N2CCN(C)CC2)cn1.Cc1ccc(NCCN(C)C)cc1.Cc1cccc(N2CCCCC2)c1.Cc1cnc(N2CCN(C)CC2)nc1
• InChI: InChI=1S/C14H22N2.C14H21N.C13H20N2.C13H19N.C13H18.C12H17N.C11H17N3.C11H16N2.C11H18N2.C10H16N4.C10H15NS/c1-12(2)15-8-10-16(11-9-15)14-6-4-13(3)5-7-14;1-13-5-7-14(8-6-13)9-12-15-10-3-2-4-11-15;1-10-4-6-13(7-5-10)15-8-11(2)14-12(3)9-15;1-12-6-8-13(9-7-12)14-10-4-2-3-5-11-14;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-11-6-5-7-12(10-11)13-8-3-2-4-9-13;1-10-3-4-11(9-12-10)14-7-5-13(2)6-8-14;1-10-5-6-11(12-9-10)13-7-3-2-4-8-13;1-10-4-6-11(7-5-10)12-8-9-13(2)3;1-9-7-11-10(12-8-9)14-5-3-13(2)4-6-14;1-9-5-6-10(12-9)11-7-3-2-4-8-11/h4-7,12H,8-11H2,1-3H3;5-8H,2-4,9-12H2,1H3;4-7,11-12,14H,8-9H2,1-3H3;6-9H,2-5,10-11H2,1H3;7-10,12H,2-6H2,1H3;5-7,10H,2-4,8-9H2,1H3;3-4,9H,5-8H2,1-2H3;5-6,9H,2-4,7-8H2,1H3;4-7,12H,8-9H2,1-3H3;7-8H,3-6H2,1-2H3;5-6H,2-4,7-8H2,1H3
• InChIKey: NZIOGDXNQQSIFY-UHFFFAOYSA-N
• XLogP: 27.21
• TPSA: 117.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2084.24
LogP ≤ 5	27.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-methylbenzene;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;3,5-dimethyl-1-(4-methylphenyl)piperazine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-(4-methylphenyl)azepane;1-[2-(4-methylphenyl)ethyl]piperidine;1-(3-methylphenyl)piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;5-methyl-2-piperidin-1-ylpyridine;1-(5-methylthiophen-2-yl)piperidine?

The IUPAC name of 1-cyclohexyl-4-methylbenzene;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;3,5-dimethyl-1-(4-methylphenyl)piperazine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-(4-methylphenyl)azepane;1-[2-(4-methylphenyl)ethyl]piperidine;1-(3-methylphenyl)piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;5-methyl-2-piperidin-1-ylpyridine;1-(5-methylthiophen-2-yl)piperidine (CID 159928593) is 1-cyclohexyl-4-methylbenzene;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;3,5-dimethyl-1-(4-methylphenyl)piperazine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-(4-methylphenyl)azepane;1-[2-(4-methylphenyl)ethyl]piperidine;1-(3-methylphenyl)piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;5-methyl-2-piperidin-1-ylpyridine;1-(5-methylthiophen-2-yl)piperidine.

What is the SMILES notation for 1-cyclohexyl-4-methylbenzene;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;3,5-dimethyl-1-(4-methylphenyl)piperazine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-(4-methylphenyl)azepane;1-[2-(4-methylphenyl)ethyl]piperidine;1-(3-methylphenyl)piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;5-methyl-2-piperidin-1-ylpyridine;1-(5-methylthiophen-2-yl)piperidine?

The canonical SMILES for 1-cyclohexyl-4-methylbenzene;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;3,5-dimethyl-1-(4-methylphenyl)piperazine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-(4-methylphenyl)azepane;1-[2-(4-methylphenyl)ethyl]piperidine;1-(3-methylphenyl)piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;5-methyl-2-piperidin-1-ylpyridine;1-(5-methylthiophen-2-yl)piperidine is Cc1ccc(C2CCCCC2)cc1.Cc1ccc(CCN2CCCCC2)cc1.Cc1ccc(N2CC(C)NC(C)C2)cc1.Cc1ccc(N2CCCCC2)nc1.Cc1ccc(N2CCCCC2)s1.Cc1ccc(N2CCCCCC2)cc1.Cc1ccc(N2CCN(C(C)C)CC2)cc1.Cc1ccc(N2CCN(C)CC2)cn1.Cc1ccc(NCCN(C)C)cc1.Cc1cccc(N2CCCCC2)c1.Cc1cnc(N2CCN(C)CC2)nc1.

What is the InChIKey of 1-cyclohexyl-4-methylbenzene;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;3,5-dimethyl-1-(4-methylphenyl)piperazine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-(4-methylphenyl)azepane;1-[2-(4-methylphenyl)ethyl]piperidine;1-(3-methylphenyl)piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;5-methyl-2-piperidin-1-ylpyridine;1-(5-methylthiophen-2-yl)piperidine?

The InChIKey is NZIOGDXNQQSIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.C14H21N.C13H20N2.C13H19N.C13H18.C12H17N.C11H17N3.C11H16N2.C11H18N2.C10H16N4.C10H15NS/c1-12(2)15-8-10-16(11-9-15)14-6-4-13(3)5-7-14;1-13-5-7-14(8-6-13)9-12-15-10-3-2-4-11-15;1-10-4-6-13(7-5-10)15-8-11(2)14-12(3)9-15;1-12-6-8-13(9-7-12)14-10-4-2-3-5-11-14;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-11-6-5-7-12(10-11)13-8-3-2-4-9-13;1-10-3-4-11(9-12-10)14-7-5-13(2)6-8-14;1-10-5-6-11(12-9-10)13-7-3-2-4-8-13;1-10-4-6-11(7-5-10)12-8-9-13(2)3;1-9-7-11-10(12-8-9)14-5-3-13(2)4-6-14;1-9-5-6-10(12-9)11-7-3-2-4-8-11/h4-7,12H,8-11H2,1-3H3;5-8H,2-4,9-12H2,1H3;4-7,11-12,14H,8-9H2,1-3H3;6-9H,2-5,10-11H2,1H3;7-10,12H,2-6H2,1H3;5-7,10H,2-4,8-9H2,1H3;3-4,9H,5-8H2,1-2H3;5-6,9H,2-4,7-8H2,1H3;4-7,12H,8-9H2,1-3H3;7-8H,3-6H2,1-2H3;5-6H,2-4,7-8H2,1H3.

What are the key properties of 1-cyclohexyl-4-methylbenzene;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;3,5-dimethyl-1-(4-methylphenyl)piperazine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-(4-methylphenyl)azepane;1-[2-(4-methylphenyl)ethyl]piperidine;1-(3-methylphenyl)piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;5-methyl-2-piperidin-1-ylpyridine;1-(5-methylthiophen-2-yl)piperidine?

1-cyclohexyl-4-methylbenzene;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;3,5-dimethyl-1-(4-methylphenyl)piperazine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-(4-methylphenyl)azepane;1-[2-(4-methylphenyl)ethyl]piperidine;1-(3-methylphenyl)piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;5-methyl-2-piperidin-1-ylpyridine;1-(5-methylthiophen-2-yl)piperidine has a molecular weight of 2084.24 g/mol, XLogP of 27.21, 17 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-4-methylbenzene;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;3,5-dimethyl-1-(4-methylphenyl)piperazine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-(4-methylphenyl)azepane;1-[2-(4-methylphenyl)ethyl]piperidine;1-(3-methylphenyl)piperidine;1-(4-methylphenyl)-4-propan-2-ylpiperazine;5-methyl-2-piperidin-1-ylpyridine;1-(5-methylthiophen-2-yl)piperidine is sourced from PubChem (CID 159928593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).