1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methylmorpholine

C30H66N6O — CID 157319960

IUPAC1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methylmorpholine
SMILESCC1CCCN1C.CC1CCN(C)C1.CC1CCN(C)CC1.CN1CCN(C)CC1.CN1CCOCC1
InChIInChI=1S/C7H15N.C6H14N2.2C6H13N.C5H11NO/c2*1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-6-2-4-7-5-3-6/h7H,3-6H2,1-2H3;3-6H2,1-2H3;2*6H,3-5H2,1-2H3;2-5H2,1H3
InChIKeyBEAUIDGDVMGKNV-UHFFFAOYSA-N
MW526.90 g/mol
LogP3.22
Rot. Bonds

About 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methylmorpholine

1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methylmorpholine (PubChem CID 157319960) has the molecular formula C30H66N6O and a molecular weight of 526.90 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methylmorpholine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methylmorpholine
PubChem CID157319960
Molecular FormulaC30H66N6O
Molecular Weight526.90 g/mol
Exact Mass526.53
IUPAC Name1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methylmorpholine
SMILESCC1CCCN1C.CC1CCN(C)C1.CC1CCN(C)CC1.CN1CCN(C)CC1.CN1CCOCC1
InChIInChI=1S/C7H15N.C6H14N2.2C6H13N.C5H11NO/c2*1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-6-2-4-7-5-3-6/h7H,3-6H2,1-2H3;3-6H2,1-2H3;2*6H,3-5H2,1-2H3;2-5H2,1H3
InChIKeyBEAUIDGDVMGKNV-UHFFFAOYSA-N
XLogP3.22
TPSA28.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.90
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methylmorpholine?
The IUPAC name of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methylmorpholine (CID 157319960) is 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methylmorpholine.
What is the SMILES notation for 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methylmorpholine?
The canonical SMILES for 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methylmorpholine is CC1CCCN1C.CC1CCN(C)C1.CC1CCN(C)CC1.CN1CCN(C)CC1.CN1CCOCC1.
What is the InChIKey of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methylmorpholine?
The InChIKey is BEAUIDGDVMGKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C6H14N2.2C6H13N.C5H11NO/c2*1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-6-2-4-7-5-3-6/h7H,3-6H2,1-2H3;3-6H2,1-2H3;2*6H,3-5H2,1-2H3;2-5H2,1H3.
What are the key properties of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methylmorpholine?
1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methylmorpholine has a molecular weight of 526.90 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methylmorpholine is sourced from PubChem (CID 157319960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).