1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidin-2-one;methane;bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine)

C120H268N14O — CID 158565658

About 1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidin-2-one;methane;bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine)

1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidin-2-one;methane;bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine) (PubChem CID 158565658) has the molecular formula C120H268N14O and a molecular weight of 1923.56 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidin-2-one;methane;bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine).

Molecular Properties

• Compound Name: 1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidin-2-one;methane;bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine)
• PubChem CID: 158565658
• Molecular Formula: C120H268N14O
• Molecular Weight: 1923.56 g/mol
• Exact Mass: 1922.14
• IUPAC Name: 1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidin-2-one;methane;bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine)
• SMILES: C.C.C.C.C.C.C.C.C.C.C.CC(C)C1=CCN(C(C)C)CC1.CC(C)C1=CCN(C(C)C)CC1.CC(C)C1C=CN(C(C)C)CC1.CC(C)C1CCN(C(C)C)C(=O)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)[C@H](C)C1.CC(C)N1CCN(C(C)C)[C@H](C)C1
• InChI: InChI=1S/3C11H24N2.C11H21NO.2C11H23N.3C11H21N.C10H22N2.11CH4/c2*1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-10(2)12-6-5-7-13(9-8-12)11(3)4;1-8(2)10-5-6-12(9(3)4)11(13)7-10;6*1-9(2)11-5-7-12(8-6-11)10(3)4;;;;;;;;;;;/h2*9-11H,6-8H2,1-5H3;10-11H,5-9H2,1-4H3;8-10H,5-7H2,1-4H3;2*9-11H,5-8H2,1-4H3;2*5,9-10H,6-8H2,1-4H3;5,7,9-11H,6,8H2,1-4H3;9-10H,5-8H2,1-4H3;11*1H4/t2*11-;;;;;;;;;;;;;;;;;;;/m11.................../s1
• InChIKey: HRLCFRSHDSLDFD-YVLWCZRFSA-N
• XLogP: 29.91
• TPSA: 62.43 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1923.56
LogP ≤ 5	29.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidin-2-one;methane;bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine)?

The IUPAC name of 1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidin-2-one;methane;bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine) (CID 158565658) is 1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidin-2-one;methane;bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine).

What is the SMILES notation for 1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidin-2-one;methane;bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine)?

The canonical SMILES for 1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidin-2-one;methane;bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine) is C.C.C.C.C.C.C.C.C.C.C.CC(C)C1=CCN(C(C)C)CC1.CC(C)C1=CCN(C(C)C)CC1.CC(C)C1C=CN(C(C)C)CC1.CC(C)C1CCN(C(C)C)C(=O)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)[C@H](C)C1.CC(C)N1CCN(C(C)C)[C@H](C)C1.

What is the InChIKey of 1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidin-2-one;methane;bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine)?

The InChIKey is HRLCFRSHDSLDFD-YVLWCZRFSA-N. The full InChI is InChI=1S/3C11H24N2.C11H21NO.2C11H23N.3C11H21N.C10H22N2.11CH4/c2*1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-10(2)12-6-5-7-13(9-8-12)11(3)4;1-8(2)10-5-6-12(9(3)4)11(13)7-10;6*1-9(2)11-5-7-12(8-6-11)10(3)4;;;;;;;;;;;/h2*9-11H,6-8H2,1-5H3;10-11H,5-9H2,1-4H3;8-10H,5-7H2,1-4H3;2*9-11H,5-8H2,1-4H3;2*5,9-10H,6-8H2,1-4H3;5,7,9-11H,6,8H2,1-4H3;9-10H,5-8H2,1-4H3;11*1H4/t2*11-;;;;;;;;;;;;;;;;;;;/m11.................../s1.

What are the key properties of 1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidin-2-one;methane;bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine)?

1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidin-2-one;methane;bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine) has a molecular weight of 1923.56 g/mol, XLogP of 29.91, 20 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidin-2-one;methane;bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine) is sourced from PubChem (CID 158565658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).