1,4-diethylbenzene;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;2,7-dimethyl-2,7-diazaspiro[3.5]nonane;1,4-dimethylpiperidine;1-ethyl-4-(4-ethylphenyl)piperazine;1-ethyl-4-methylcyclohexane;1-ethyl-4-methylpiperidine;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;3-methyl-1-propylazetidine;3-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine

C133H248N16 — CID 167571278

About 1,4-diethylbenzene;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;2,7-dimethyl-2,7-diazaspiro[3.5]nonane;1,4-dimethylpiperidine;1-ethyl-4-(4-ethylphenyl)piperazine;1-ethyl-4-methylcyclohexane;1-ethyl-4-methylpiperidine;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;3-methyl-1-propylazetidine;3-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine

1,4-diethylbenzene;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;2,7-dimethyl-2,7-diazaspiro[3.5]nonane;1,4-dimethylpiperidine;1-ethyl-4-(4-ethylphenyl)piperazine;1-ethyl-4-methylcyclohexane;1-ethyl-4-methylpiperidine;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;3-methyl-1-propylazetidine;3-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine (PubChem CID 167571278) has the molecular formula C133H248N16 and a molecular weight of 2071.56 g/mol. Its IUPAC name is 1,4-diethylbenzene;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;2,7-dimethyl-2,7-diazaspiro[3.5]nonane;1,4-dimethylpiperidine;1-ethyl-4-(4-ethylphenyl)piperazine;1-ethyl-4-methylcyclohexane;1-ethyl-4-methylpiperidine;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;3-methyl-1-propylazetidine;3-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine.

Molecular Properties

• Compound Name: 1,4-diethylbenzene;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;2,7-dimethyl-2,7-diazaspiro[3.5]nonane;1,4-dimethylpiperidine;1-ethyl-4-(4-ethylphenyl)piperazine;1-ethyl-4-methylcyclohexane;1-ethyl-4-methylpiperidine;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;3-methyl-1-propylazetidine;3-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine
• PubChem CID: 167571278
• Molecular Formula: C133H248N16
• Molecular Weight: 2071.56 g/mol
• Exact Mass: 2069.99
• IUPAC Name: 1,4-diethylbenzene;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;2,7-dimethyl-2,7-diazaspiro[3.5]nonane;1,4-dimethylpiperidine;1-ethyl-4-(4-ethylphenyl)piperazine;1-ethyl-4-methylcyclohexane;1-ethyl-4-methylpiperidine;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;3-methyl-1-propylazetidine;3-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine
• SMILES: CC1CC(C)C1.CC1CCC(C)CC1.CC1CCN(C)CC1.CCC1CCC(C)CC1.CCCN1CC(C)C1.CCCN1CCC(C)CC1.CCCN1CCCC(C)C1.CCN1CCC(C)CC1.CCc1ccc(CC)cc1.CCc1ccc(N2CCN(CC)CC2)cc1.CN1CCC(CN2CCN(C)CC2)CC1.CN1CCC2(CC1)CN(C)C2.Cc1ccc(CN2CCN(C)CC2)cc1.Cc1ccc(N2CCN(C)CC2)cc1
• InChI: InChI=1S/C14H22N2.C13H20N2.C12H25N3.C12H18N2.C10H14.C9H18N2.2C9H19N.C9H18.C8H17N.C8H16.2C7H15N.C6H12/c1-3-13-5-7-14(8-6-13)16-11-9-15(4-2)10-12-16;1-12-3-5-13(6-4-12)11-15-9-7-14(2)8-10-15;1-13-5-3-12(4-6-13)11-15-9-7-14(2)8-10-15;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-3-9-5-7-10(4-2)8-6-9;1-10-5-3-9(4-6-10)7-11(2)8-9;1-3-6-10-7-4-9(2)5-8-10;1-3-6-10-7-4-5-9(2)8-10;2*1-3-9-6-4-8(2)5-7-9;2*1-7-3-5-8(2)6-4-7;1-3-4-8-5-7(2)6-8;1-5-3-6(2)4-5/h5-8H,3-4,9-12H2,1-2H3;3-6H,7-11H2,1-2H3;12H,3-11H2,1-2H3;3-6H,7-10H2,1-2H3;5-8H,3-4H2,1-2H3;3-8H2,1-2H3;2*9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3
• InChIKey: FXZROBFMOYYKOI-UHFFFAOYSA-N
• XLogP: 26.71
• TPSA: 51.84 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2071.56
LogP ≤ 5	26.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,4-diethylbenzene;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;2,7-dimethyl-2,7-diazaspiro[3.5]nonane;1,4-dimethylpiperidine;1-ethyl-4-(4-ethylphenyl)piperazine;1-ethyl-4-methylcyclohexane;1-ethyl-4-methylpiperidine;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;3-methyl-1-propylazetidine;3-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine?

The IUPAC name of 1,4-diethylbenzene;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;2,7-dimethyl-2,7-diazaspiro[3.5]nonane;1,4-dimethylpiperidine;1-ethyl-4-(4-ethylphenyl)piperazine;1-ethyl-4-methylcyclohexane;1-ethyl-4-methylpiperidine;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;3-methyl-1-propylazetidine;3-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine (CID 167571278) is 1,4-diethylbenzene;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;2,7-dimethyl-2,7-diazaspiro[3.5]nonane;1,4-dimethylpiperidine;1-ethyl-4-(4-ethylphenyl)piperazine;1-ethyl-4-methylcyclohexane;1-ethyl-4-methylpiperidine;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;3-methyl-1-propylazetidine;3-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine.

What is the SMILES notation for 1,4-diethylbenzene;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;2,7-dimethyl-2,7-diazaspiro[3.5]nonane;1,4-dimethylpiperidine;1-ethyl-4-(4-ethylphenyl)piperazine;1-ethyl-4-methylcyclohexane;1-ethyl-4-methylpiperidine;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;3-methyl-1-propylazetidine;3-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine?

The canonical SMILES for 1,4-diethylbenzene;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;2,7-dimethyl-2,7-diazaspiro[3.5]nonane;1,4-dimethylpiperidine;1-ethyl-4-(4-ethylphenyl)piperazine;1-ethyl-4-methylcyclohexane;1-ethyl-4-methylpiperidine;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;3-methyl-1-propylazetidine;3-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine is CC1CC(C)C1.CC1CCC(C)CC1.CC1CCN(C)CC1.CCC1CCC(C)CC1.CCCN1CC(C)C1.CCCN1CCC(C)CC1.CCCN1CCCC(C)C1.CCN1CCC(C)CC1.CCc1ccc(CC)cc1.CCc1ccc(N2CCN(CC)CC2)cc1.CN1CCC(CN2CCN(C)CC2)CC1.CN1CCC2(CC1)CN(C)C2.Cc1ccc(CN2CCN(C)CC2)cc1.Cc1ccc(N2CCN(C)CC2)cc1.

What is the InChIKey of 1,4-diethylbenzene;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;2,7-dimethyl-2,7-diazaspiro[3.5]nonane;1,4-dimethylpiperidine;1-ethyl-4-(4-ethylphenyl)piperazine;1-ethyl-4-methylcyclohexane;1-ethyl-4-methylpiperidine;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;3-methyl-1-propylazetidine;3-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine?

The InChIKey is FXZROBFMOYYKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.C13H20N2.C12H25N3.C12H18N2.C10H14.C9H18N2.2C9H19N.C9H18.C8H17N.C8H16.2C7H15N.C6H12/c1-3-13-5-7-14(8-6-13)16-11-9-15(4-2)10-12-16;1-12-3-5-13(6-4-12)11-15-9-7-14(2)8-10-15;1-13-5-3-12(4-6-13)11-15-9-7-14(2)8-10-15;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-3-9-5-7-10(4-2)8-6-9;1-10-5-3-9(4-6-10)7-11(2)8-9;1-3-6-10-7-4-9(2)5-8-10;1-3-6-10-7-4-5-9(2)8-10;2*1-3-9-6-4-8(2)5-7-9;2*1-7-3-5-8(2)6-4-7;1-3-4-8-5-7(2)6-8;1-5-3-6(2)4-5/h5-8H,3-4,9-12H2,1-2H3;3-6H,7-11H2,1-2H3;12H,3-11H2,1-2H3;3-6H,7-10H2,1-2H3;5-8H,3-4H2,1-2H3;3-8H2,1-2H3;2*9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3.

What are the key properties of 1,4-diethylbenzene;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;2,7-dimethyl-2,7-diazaspiro[3.5]nonane;1,4-dimethylpiperidine;1-ethyl-4-(4-ethylphenyl)piperazine;1-ethyl-4-methylcyclohexane;1-ethyl-4-methylpiperidine;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;3-methyl-1-propylazetidine;3-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine?

1,4-diethylbenzene;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;2,7-dimethyl-2,7-diazaspiro[3.5]nonane;1,4-dimethylpiperidine;1-ethyl-4-(4-ethylphenyl)piperazine;1-ethyl-4-methylcyclohexane;1-ethyl-4-methylpiperidine;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;3-methyl-1-propylazetidine;3-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine has a molecular weight of 2071.56 g/mol, XLogP of 26.71, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-diethylbenzene;1,3-dimethylcyclobutane;1,4-dimethylcyclohexane;2,7-dimethyl-2,7-diazaspiro[3.5]nonane;1,4-dimethylpiperidine;1-ethyl-4-(4-ethylphenyl)piperazine;1-ethyl-4-methylcyclohexane;1-ethyl-4-methylpiperidine;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;3-methyl-1-propylazetidine;3-methyl-1-propylpiperidine;4-methyl-1-propylpiperidine is sourced from PubChem (CID 167571278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).