1,4-dimethylpiperazine;4-methoxy-1-methylpiperidine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-4-ol;1-methylpyrrolidine

C35H77N7O3 — CID 158310698

IUPAC1,4-dimethylpiperazine;4-methoxy-1-methylpiperidine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-4-ol;1-methylpyrrolidine
SMILESCN1CCC(O)CC1.CN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1.COC1CCN(C)CC1
InChIInChI=1S/C7H15NO.C6H14N2.C6H13NO.C6H13N.C5H11NO.C5H11N/c1-8-5-3-7(9-2)4-6-8;1-7-3-5-8(2)6-4-7;1-7-4-2-6(8)3-5-7;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6/h7H,3-6H2,1-2H3;3-6H2,1-2H3;6,8H,2-5H2,1H3;2-6H2,1H3;2-5H2,1H3;2-5H2,1H3
InChIKeyGNQKUQVOUQJXLU-UHFFFAOYSA-N
MW644.05 g/mol
LogP2.43
Rot. Bonds1

About 1,4-dimethylpiperazine;4-methoxy-1-methylpiperidine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-4-ol;1-methylpyrrolidine

1,4-dimethylpiperazine;4-methoxy-1-methylpiperidine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-4-ol;1-methylpyrrolidine (PubChem CID 158310698) has the molecular formula C35H77N7O3 and a molecular weight of 644.05 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;4-methoxy-1-methylpiperidine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-4-ol;1-methylpyrrolidine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;4-methoxy-1-methylpiperidine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-4-ol;1-methylpyrrolidine
PubChem CID158310698
Molecular FormulaC35H77N7O3
Molecular Weight644.05 g/mol
Exact Mass643.61
IUPAC Name1,4-dimethylpiperazine;4-methoxy-1-methylpiperidine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-4-ol;1-methylpyrrolidine
SMILESCN1CCC(O)CC1.CN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1.COC1CCN(C)CC1
InChIInChI=1S/C7H15NO.C6H14N2.C6H13NO.C6H13N.C5H11NO.C5H11N/c1-8-5-3-7(9-2)4-6-8;1-7-3-5-8(2)6-4-7;1-7-4-2-6(8)3-5-7;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6/h7H,3-6H2,1-2H3;3-6H2,1-2H3;6,8H,2-5H2,1H3;2-6H2,1H3;2-5H2,1H3;2-5H2,1H3
InChIKeyGNQKUQVOUQJXLU-UHFFFAOYSA-N
XLogP2.43
TPSA61.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500644.05
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;4-methoxy-1-methylpiperidine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-4-ol;1-methylpyrrolidine?
The IUPAC name of 1,4-dimethylpiperazine;4-methoxy-1-methylpiperidine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-4-ol;1-methylpyrrolidine (CID 158310698) is 1,4-dimethylpiperazine;4-methoxy-1-methylpiperidine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-4-ol;1-methylpyrrolidine.
What is the SMILES notation for 1,4-dimethylpiperazine;4-methoxy-1-methylpiperidine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-4-ol;1-methylpyrrolidine?
The canonical SMILES for 1,4-dimethylpiperazine;4-methoxy-1-methylpiperidine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-4-ol;1-methylpyrrolidine is CN1CCC(O)CC1.CN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1.COC1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;4-methoxy-1-methylpiperidine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-4-ol;1-methylpyrrolidine?
The InChIKey is GNQKUQVOUQJXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C6H14N2.C6H13NO.C6H13N.C5H11NO.C5H11N/c1-8-5-3-7(9-2)4-6-8;1-7-3-5-8(2)6-4-7;1-7-4-2-6(8)3-5-7;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6/h7H,3-6H2,1-2H3;3-6H2,1-2H3;6,8H,2-5H2,1H3;2-6H2,1H3;2-5H2,1H3;2-5H2,1H3.
What are the key properties of 1,4-dimethylpiperazine;4-methoxy-1-methylpiperidine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-4-ol;1-methylpyrrolidine?
1,4-dimethylpiperazine;4-methoxy-1-methylpiperidine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-4-ol;1-methylpyrrolidine has a molecular weight of 644.05 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 1,4-dimethylpiperazine;4-methoxy-1-methylpiperidine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-4-ol;1-methylpyrrolidine is sourced from PubChem (CID 158310698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).