1-(3-methylbutan-2-yl)azetidine;4-(3-methylbutan-2-yl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-yloxypiperidine

C35H73N5O3 — CID 160782755

About 1-(3-methylbutan-2-yl)azetidine;4-(3-methylbutan-2-yl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-yloxypiperidine

1-(3-methylbutan-2-yl)azetidine;4-(3-methylbutan-2-yl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-yloxypiperidine (PubChem CID 160782755) has the molecular formula C35H73N5O3 and a molecular weight of 612.00 g/mol. Its IUPAC name is 1-(3-methylbutan-2-yl)azetidine;4-(3-methylbutan-2-yl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-yloxypiperidine.

Molecular Properties

• Compound Name: 1-(3-methylbutan-2-yl)azetidine;4-(3-methylbutan-2-yl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-yloxypiperidine
• PubChem CID: 160782755
• Molecular Formula: C35H73N5O3
• Molecular Weight: 612.00 g/mol
• Exact Mass: 611.57
• IUPAC Name: 1-(3-methylbutan-2-yl)azetidine;4-(3-methylbutan-2-yl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-yloxypiperidine
• SMILES: CC(C)C(=O)N1CCN(C)CC1.CC(C)C(C)N1CCC1.CC(C)C(C)N1CCOCC1.CC(C)OC1CCN(C)CC1
• InChI: InChI=1S/C9H18N2O.2C9H19NO.C8H17N/c1-8(2)9(12)11-6-4-10(3)5-7-11;1-8(2)11-9-4-6-10(3)7-5-9;1-8(2)9(3)10-4-6-11-7-5-10;1-7(2)8(3)9-5-4-6-9/h8H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3
• InChIKey: SAUIDDWOXAPAFT-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 51.73 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.00
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutan-2-yl)azetidine;4-(3-methylbutan-2-yl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-yloxypiperidine?

The IUPAC name of 1-(3-methylbutan-2-yl)azetidine;4-(3-methylbutan-2-yl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-yloxypiperidine (CID 160782755) is 1-(3-methylbutan-2-yl)azetidine;4-(3-methylbutan-2-yl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-yloxypiperidine.

What is the SMILES notation for 1-(3-methylbutan-2-yl)azetidine;4-(3-methylbutan-2-yl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-yloxypiperidine?

The canonical SMILES for 1-(3-methylbutan-2-yl)azetidine;4-(3-methylbutan-2-yl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-yloxypiperidine is CC(C)C(=O)N1CCN(C)CC1.CC(C)C(C)N1CCC1.CC(C)C(C)N1CCOCC1.CC(C)OC1CCN(C)CC1.

What is the InChIKey of 1-(3-methylbutan-2-yl)azetidine;4-(3-methylbutan-2-yl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-yloxypiperidine?

The InChIKey is SAUIDDWOXAPAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.2C9H19NO.C8H17N/c1-8(2)9(12)11-6-4-10(3)5-7-11;1-8(2)11-9-4-6-10(3)7-5-9;1-8(2)9(3)10-4-6-11-7-5-10;1-7(2)8(3)9-5-4-6-9/h8H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3.

What are the key properties of 1-(3-methylbutan-2-yl)azetidine;4-(3-methylbutan-2-yl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-yloxypiperidine?

1-(3-methylbutan-2-yl)azetidine;4-(3-methylbutan-2-yl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-yloxypiperidine has a molecular weight of 612.00 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-methylbutan-2-yl)azetidine;4-(3-methylbutan-2-yl)morpholine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-yloxypiperidine is sourced from PubChem (CID 160782755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).