4-methylmorpholine;4-methylmorpholin-3-one;1-methylpiperazine;1-methylpiperidin-4-amine;1-methylpiperidin-2-one

C27H57N7O4 — CID 161242607

IUPAC4-methylmorpholine;4-methylmorpholin-3-one;1-methylpiperazine;1-methylpiperidin-4-amine;1-methylpiperidin-2-one
SMILESCN1CCC(N)CC1.CN1CCCCC1=O.CN1CCNCC1.CN1CCOCC1.CN1CCOCC1=O
InChIInChI=1S/C6H14N2.C6H11NO.C5H12N2.C5H9NO2.C5H11NO/c1-8-4-2-6(7)3-5-8;1-7-5-3-2-4-6(7)8;1-7-4-2-6-3-5-7;1-6-2-3-8-4-5(6)7;1-6-2-4-7-5-3-6/h6H,2-5,7H2,1H3;2-5H2,1H3;6H,2-5H2,1H3;2-4H2,1H3;2-5H2,1H3
InChIKeyVAFFUUDMYHIAOH-UHFFFAOYSA-N
MW543.80 g/mol
LogP-0.39
Rot. Bonds

About 4-methylmorpholine;4-methylmorpholin-3-one;1-methylpiperazine;1-methylpiperidin-4-amine;1-methylpiperidin-2-one

4-methylmorpholine;4-methylmorpholin-3-one;1-methylpiperazine;1-methylpiperidin-4-amine;1-methylpiperidin-2-one (PubChem CID 161242607) has the molecular formula C27H57N7O4 and a molecular weight of 543.80 g/mol. Its IUPAC name is 4-methylmorpholine;4-methylmorpholin-3-one;1-methylpiperazine;1-methylpiperidin-4-amine;1-methylpiperidin-2-one.

Molecular Properties

Compound Name4-methylmorpholine;4-methylmorpholin-3-one;1-methylpiperazine;1-methylpiperidin-4-amine;1-methylpiperidin-2-one
PubChem CID161242607
Molecular FormulaC27H57N7O4
Molecular Weight543.80 g/mol
Exact Mass543.45
IUPAC Name4-methylmorpholine;4-methylmorpholin-3-one;1-methylpiperazine;1-methylpiperidin-4-amine;1-methylpiperidin-2-one
SMILESCN1CCC(N)CC1.CN1CCCCC1=O.CN1CCNCC1.CN1CCOCC1.CN1CCOCC1=O
InChIInChI=1S/C6H14N2.C6H11NO.C5H12N2.C5H9NO2.C5H11NO/c1-8-4-2-6(7)3-5-8;1-7-5-3-2-4-6(7)8;1-7-4-2-6-3-5-7;1-6-2-3-8-4-5(6)7;1-6-2-4-7-5-3-6/h6H,2-5,7H2,1H3;2-5H2,1H3;6H,2-5H2,1H3;2-4H2,1H3;2-5H2,1H3
InChIKeyVAFFUUDMYHIAOH-UHFFFAOYSA-N
XLogP-0.39
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.80
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-methylmorpholine;4-methylmorpholin-3-one;1-methylpiperazine;1-methylpiperidin-4-amine;1-methylpiperidin-2-one?
The IUPAC name of 4-methylmorpholine;4-methylmorpholin-3-one;1-methylpiperazine;1-methylpiperidin-4-amine;1-methylpiperidin-2-one (CID 161242607) is 4-methylmorpholine;4-methylmorpholin-3-one;1-methylpiperazine;1-methylpiperidin-4-amine;1-methylpiperidin-2-one.
What is the SMILES notation for 4-methylmorpholine;4-methylmorpholin-3-one;1-methylpiperazine;1-methylpiperidin-4-amine;1-methylpiperidin-2-one?
The canonical SMILES for 4-methylmorpholine;4-methylmorpholin-3-one;1-methylpiperazine;1-methylpiperidin-4-amine;1-methylpiperidin-2-one is CN1CCC(N)CC1.CN1CCCCC1=O.CN1CCNCC1.CN1CCOCC1.CN1CCOCC1=O.
What is the InChIKey of 4-methylmorpholine;4-methylmorpholin-3-one;1-methylpiperazine;1-methylpiperidin-4-amine;1-methylpiperidin-2-one?
The InChIKey is VAFFUUDMYHIAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C6H11NO.C5H12N2.C5H9NO2.C5H11NO/c1-8-4-2-6(7)3-5-8;1-7-5-3-2-4-6(7)8;1-7-4-2-6-3-5-7;1-6-2-3-8-4-5(6)7;1-6-2-4-7-5-3-6/h6H,2-5,7H2,1H3;2-5H2,1H3;6H,2-5H2,1H3;2-4H2,1H3;2-5H2,1H3.
What are the key properties of 4-methylmorpholine;4-methylmorpholin-3-one;1-methylpiperazine;1-methylpiperidin-4-amine;1-methylpiperidin-2-one?
4-methylmorpholine;4-methylmorpholin-3-one;1-methylpiperazine;1-methylpiperidin-4-amine;1-methylpiperidin-2-one has a molecular weight of 543.80 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylmorpholine;4-methylmorpholin-3-one;1-methylpiperazine;1-methylpiperidin-4-amine;1-methylpiperidin-2-one is sourced from PubChem (CID 161242607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).