1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;4-methylmorpholine;4-methyloxane

C32H76N4O2 — CID 158070688

IUPAC1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;4-methylmorpholine;4-methyloxane
SMILESCC.CC.CC.CC.CC1CCN(C)CC1.CC1CCOCC1.CN1CCN(C)CC1.CN1CCOCC1
InChIInChI=1S/C7H15N.C6H14N2.C6H12O.C5H11NO.4C2H6/c2*1-7-3-5-8(2)6-4-7;2*1-6-2-4-7-5-3-6;4*1-2/h7H,3-6H2,1-2H3;3-6H2,1-2H3;6H,2-5H2,1H3;2-5H2,1H3;4*1-2H3
InChIKeyFLUBMNGCGRNIGU-UHFFFAOYSA-N
MW548.99 g/mol
LogP6.70
Rot. Bonds

About 1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;4-methylmorpholine;4-methyloxane

1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;4-methylmorpholine;4-methyloxane (PubChem CID 158070688) has the molecular formula C32H76N4O2 and a molecular weight of 548.99 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;4-methylmorpholine;4-methyloxane.

Molecular Properties

Compound Name1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;4-methylmorpholine;4-methyloxane
PubChem CID158070688
Molecular FormulaC32H76N4O2
Molecular Weight548.99 g/mol
Exact Mass548.60
IUPAC Name1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;4-methylmorpholine;4-methyloxane
SMILESCC.CC.CC.CC.CC1CCN(C)CC1.CC1CCOCC1.CN1CCN(C)CC1.CN1CCOCC1
InChIInChI=1S/C7H15N.C6H14N2.C6H12O.C5H11NO.4C2H6/c2*1-7-3-5-8(2)6-4-7;2*1-6-2-4-7-5-3-6;4*1-2/h7H,3-6H2,1-2H3;3-6H2,1-2H3;6H,2-5H2,1H3;2-5H2,1H3;4*1-2H3
InChIKeyFLUBMNGCGRNIGU-UHFFFAOYSA-N
XLogP6.70
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.99
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;4-methylmorpholine;4-methyloxane?
The IUPAC name of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;4-methylmorpholine;4-methyloxane (CID 158070688) is 1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;4-methylmorpholine;4-methyloxane.
What is the SMILES notation for 1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;4-methylmorpholine;4-methyloxane?
The canonical SMILES for 1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;4-methylmorpholine;4-methyloxane is CC.CC.CC.CC.CC1CCN(C)CC1.CC1CCOCC1.CN1CCN(C)CC1.CN1CCOCC1.
What is the InChIKey of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;4-methylmorpholine;4-methyloxane?
The InChIKey is FLUBMNGCGRNIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C6H14N2.C6H12O.C5H11NO.4C2H6/c2*1-7-3-5-8(2)6-4-7;2*1-6-2-4-7-5-3-6;4*1-2/h7H,3-6H2,1-2H3;3-6H2,1-2H3;6H,2-5H2,1H3;2-5H2,1H3;4*1-2H3.
What are the key properties of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;4-methylmorpholine;4-methyloxane?
1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;4-methylmorpholine;4-methyloxane has a molecular weight of 548.99 g/mol, XLogP of 6.70, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;4-methylmorpholine;4-methyloxane is sourced from PubChem (CID 158070688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).