1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine

C44H94N6 — CID 158593855

About 1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine

1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine (PubChem CID 158593855) has the molecular formula C44H94N6 and a molecular weight of 707.28 g/mol. Its IUPAC name is 1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine.

Molecular Properties

• Compound Name: 1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine
• PubChem CID: 158593855
• Molecular Formula: C44H94N6
• Molecular Weight: 707.28 g/mol
• Exact Mass: 706.75
• IUPAC Name: 1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine
• SMILES: CC1CCCN(C)C1.CC1CCN(C)C1.CC1CCN(C)CC1.CCC1CCCCN1C.CCC1CCCN(C)C1.CCC1CCN(C)CC1
• InChI: InChI=1S/3C8H17N.2C7H15N.C6H13N/c1-3-8-4-6-9(2)7-5-8;1-3-8-5-4-6-9(2)7-8;1-3-8-6-4-5-7-9(8)2;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-4-7(2)5-6/h3*8H,3-7H2,1-2H3;2*7H,3-6H2,1-2H3;6H,3-5H2,1-2H3
• InChIKey: HUTUXMDRAJKJFV-UHFFFAOYSA-N
• XLogP: 9.01
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.28
LogP ≤ 5	9.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine?

The IUPAC name of 1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine (CID 158593855) is 1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine.

What is the SMILES notation for 1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine?

The canonical SMILES for 1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine is CC1CCCN(C)C1.CC1CCN(C)C1.CC1CCN(C)CC1.CCC1CCCCN1C.CCC1CCCN(C)C1.CCC1CCN(C)CC1.

What is the InChIKey of 1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine?

The InChIKey is HUTUXMDRAJKJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H17N.2C7H15N.C6H13N/c1-3-8-4-6-9(2)7-5-8;1-3-8-5-4-6-9(2)7-8;1-3-8-6-4-5-7-9(8)2;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-4-7(2)5-6/h3*8H,3-7H2,1-2H3;2*7H,3-6H2,1-2H3;6H,3-5H2,1-2H3.

What are the key properties of 1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine?

1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine has a molecular weight of 707.28 g/mol, XLogP of 9.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine is sourced from PubChem (CID 158593855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).