1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine

C37H83N9O — CID 160525824

IUPAC1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine
SMILESCC1CCN(C)CC1.CC1CN(C)CCN1.CCN1CCN(C)CC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1
InChIInChI=1S/C7H16N2.C7H15N.2C6H14N2.C6H13N.C5H11NO/c1-3-9-6-4-8(2)5-7-9;2*1-7-3-5-8(2)6-4-7;1-6-5-8(2)4-3-7-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6/h3-7H2,1-2H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;6-7H,3-5H2,1-2H3;2-6H2,1H3;2-5H2,1H3
InChIKeyQUWKGPAADAJTAV-UHFFFAOYSA-N
MW670.13 g/mol
LogP2.43
Rot. Bonds1

About 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine

1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine (PubChem CID 160525824) has the molecular formula C37H83N9O and a molecular weight of 670.13 g/mol. Its IUPAC name is 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine.

Molecular Properties

Compound Name1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine
PubChem CID160525824
Molecular FormulaC37H83N9O
Molecular Weight670.13 g/mol
Exact Mass669.67
IUPAC Name1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine
SMILESCC1CCN(C)CC1.CC1CN(C)CCN1.CCN1CCN(C)CC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1
InChIInChI=1S/C7H16N2.C7H15N.2C6H14N2.C6H13N.C5H11NO/c1-3-9-6-4-8(2)5-7-9;2*1-7-3-5-8(2)6-4-7;1-6-5-8(2)4-3-7-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6/h3-7H2,1-2H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;6-7H,3-5H2,1-2H3;2-6H2,1H3;2-5H2,1H3
InChIKeyQUWKGPAADAJTAV-UHFFFAOYSA-N
XLogP2.43
TPSA47.18 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500670.13
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine?
The IUPAC name of 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine (CID 160525824) is 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine.
What is the SMILES notation for 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine?
The canonical SMILES for 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine is CC1CCN(C)CC1.CC1CN(C)CCN1.CCN1CCN(C)CC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1.
What is the InChIKey of 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine?
The InChIKey is QUWKGPAADAJTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C7H15N.2C6H14N2.C6H13N.C5H11NO/c1-3-9-6-4-8(2)5-7-9;2*1-7-3-5-8(2)6-4-7;1-6-5-8(2)4-3-7-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6/h3-7H2,1-2H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;6-7H,3-5H2,1-2H3;2-6H2,1H3;2-5H2,1H3.
What are the key properties of 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine?
1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine has a molecular weight of 670.13 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine is sourced from PubChem (CID 160525824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).