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

C43H96N10O — CID 157379499

IUPAC1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine
SMILESCC1CCN(C)CC1.CC1CN(C)CCN1.CCN1CCN(C)CC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1.C[C@@H]1CCCNC1
InChIInChI=1S/C7H16N2.C7H15N.2C6H14N2.2C6H13N.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;1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6/h3-7H2,1-2H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;6-7H,3-5H2,1-2H3;6-7H,2-5H2,1H3;2-6H2,1H3;2-5H2,1H3/t;;;;6-;;/m....1../s1
InChIKeyBKSARHYUYSBFAQ-WIRJLEOJSA-N
MW769.31 g/mol
LogP3.43
Rot. Bonds1

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

1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine (PubChem CID 157379499) has the molecular formula C43H96N10O and a molecular weight of 769.31 g/mol. Its IUPAC name is 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine.

Molecular Properties

Compound Name1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine
PubChem CID157379499
Molecular FormulaC43H96N10O
Molecular Weight769.31 g/mol
Exact Mass768.78
IUPAC Name1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine
SMILESCC1CCN(C)CC1.CC1CN(C)CCN1.CCN1CCN(C)CC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1.C[C@@H]1CCCNC1
InChIInChI=1S/C7H16N2.C7H15N.2C6H14N2.2C6H13N.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;1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6/h3-7H2,1-2H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;6-7H,3-5H2,1-2H3;6-7H,2-5H2,1H3;2-6H2,1H3;2-5H2,1H3/t;;;;6-;;/m....1../s1
InChIKeyBKSARHYUYSBFAQ-WIRJLEOJSA-N
XLogP3.43
TPSA59.21 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds1
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.31
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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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;(3R)-3-methylpiperidine?
The IUPAC name of 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine (CID 157379499) is 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine.
What is the SMILES notation for 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine?
The canonical SMILES for 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine is CC1CCN(C)CC1.CC1CN(C)CCN1.CCN1CCN(C)CC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1.C[C@@H]1CCCNC1.
What is the InChIKey of 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine?
The InChIKey is BKSARHYUYSBFAQ-WIRJLEOJSA-N. The full InChI is InChI=1S/C7H16N2.C7H15N.2C6H14N2.2C6H13N.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;1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6/h3-7H2,1-2H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;6-7H,3-5H2,1-2H3;6-7H,2-5H2,1H3;2-6H2,1H3;2-5H2,1H3/t;;;;6-;;/m....1../s1.
What are the key properties of 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine?
1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine has a molecular weight of 769.31 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 11 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;(3R)-3-methylpiperidine is sourced from PubChem (CID 157379499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).