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

C44H98N10O — CID 159640212

IUPAC1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-3-methylpiperazine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;3-methylpiperidine
SMILESCC1CCCNC1.CC1CCN(C)CC1.CCN1CCN(C)CC1.CCN1CCNC(C)C1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1
InChIInChI=1S/2C7H16N2.C7H15N.C6H14N2.2C6H13N.C5H11NO/c1-3-9-6-4-8(2)5-7-9;1-3-9-5-4-8-7(2)6-9;2*1-7-3-5-8(2)6-4-7;1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6/h3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;6-7H,2-5H2,1H3;2-6H2,1H3;2-5H2,1H3
InChIKeyMQGHARVHDQQUDV-UHFFFAOYSA-N
MW783.34 g/mol
LogP3.82
Rot. Bonds2

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

1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-3-methylpiperazine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;3-methylpiperidine (PubChem CID 159640212) has the molecular formula C44H98N10O and a molecular weight of 783.34 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-3-methylpiperazine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;3-methylpiperidine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-3-methylpiperazine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;3-methylpiperidine
PubChem CID159640212
Molecular FormulaC44H98N10O
Molecular Weight783.34 g/mol
Exact Mass782.79
IUPAC Name1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-3-methylpiperazine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;3-methylpiperidine
SMILESCC1CCCNC1.CC1CCN(C)CC1.CCN1CCN(C)CC1.CCN1CCNC(C)C1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1
InChIInChI=1S/2C7H16N2.C7H15N.C6H14N2.2C6H13N.C5H11NO/c1-3-9-6-4-8(2)5-7-9;1-3-9-5-4-8-7(2)6-9;2*1-7-3-5-8(2)6-4-7;1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6/h3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;6-7H,2-5H2,1H3;2-6H2,1H3;2-5H2,1H3
InChIKeyMQGHARVHDQQUDV-UHFFFAOYSA-N
XLogP3.82
TPSA59.21 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.34
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-3-methylpiperazine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;3-methylpiperidine?
The IUPAC name of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-3-methylpiperazine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;3-methylpiperidine (CID 159640212) is 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-3-methylpiperazine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;3-methylpiperidine.
What is the SMILES notation for 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-3-methylpiperazine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;3-methylpiperidine?
The canonical SMILES for 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-3-methylpiperazine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;3-methylpiperidine is CC1CCCNC1.CC1CCN(C)CC1.CCN1CCN(C)CC1.CCN1CCNC(C)C1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1.
What is the InChIKey of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-3-methylpiperazine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;3-methylpiperidine?
The InChIKey is MQGHARVHDQQUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16N2.C7H15N.C6H14N2.2C6H13N.C5H11NO/c1-3-9-6-4-8(2)5-7-9;1-3-9-5-4-8-7(2)6-9;2*1-7-3-5-8(2)6-4-7;1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6/h3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;6-7H,2-5H2,1H3;2-6H2,1H3;2-5H2,1H3.
What are the key properties of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-3-methylpiperazine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;3-methylpiperidine?
1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-3-methylpiperazine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;3-methylpiperidine has a molecular weight of 783.34 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-3-methylpiperazine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;3-methylpiperidine is sourced from PubChem (CID 159640212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).