1,4-dimethyl-3,6-dihydro-2H-pyridine;1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine

C34H70N6 — CID 158143139

IUPAC1,4-dimethyl-3,6-dihydro-2H-pyridine;1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine
SMILESCC1=CCCN(C)C1.CC1=CCN(C)CC1.CC1CCCN(C)C1.CC1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/C7H15N.C7H13N.C7H15N.C7H13N.C6H14N2/c2*1-7-3-5-8(2)6-4-7;2*1-7-4-3-5-8(2)6-7;1-7-3-5-8(2)6-4-7/h7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;7H,3-6H2,1-2H3;4H,3,5-6H2,1-2H3;3-6H2,1-2H3
InChIKeyFUENXDBMJWKCIN-UHFFFAOYSA-N
MW562.98 g/mol
LogP5.10
Rot. Bonds

About 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine

1,4-dimethyl-3,6-dihydro-2H-pyridine;1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine (PubChem CID 158143139) has the molecular formula C34H70N6 and a molecular weight of 562.98 g/mol. Its IUPAC name is 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine.

Molecular Properties

Compound Name1,4-dimethyl-3,6-dihydro-2H-pyridine;1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine
PubChem CID158143139
Molecular FormulaC34H70N6
Molecular Weight562.98 g/mol
Exact Mass562.57
IUPAC Name1,4-dimethyl-3,6-dihydro-2H-pyridine;1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine
SMILESCC1=CCCN(C)C1.CC1=CCN(C)CC1.CC1CCCN(C)C1.CC1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/C7H15N.C7H13N.C7H15N.C7H13N.C6H14N2/c2*1-7-3-5-8(2)6-4-7;2*1-7-4-3-5-8(2)6-7;1-7-3-5-8(2)6-4-7/h7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;7H,3-6H2,1-2H3;4H,3,5-6H2,1-2H3;3-6H2,1-2H3
InChIKeyFUENXDBMJWKCIN-UHFFFAOYSA-N
XLogP5.10
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.98
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine?
The IUPAC name of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine (CID 158143139) is 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine.
What is the SMILES notation for 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine?
The canonical SMILES for 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine is CC1=CCCN(C)C1.CC1=CCN(C)CC1.CC1CCCN(C)C1.CC1CCN(C)CC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine?
The InChIKey is FUENXDBMJWKCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C7H13N.C7H15N.C7H13N.C6H14N2/c2*1-7-3-5-8(2)6-4-7;2*1-7-4-3-5-8(2)6-7;1-7-3-5-8(2)6-4-7/h7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;7H,3-6H2,1-2H3;4H,3,5-6H2,1-2H3;3-6H2,1-2H3.
What are the key properties of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine?
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine has a molecular weight of 562.98 g/mol, XLogP of 5.10, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine is sourced from PubChem (CID 158143139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).