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

C20H42N4 — CID 158248494

IUPAC1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine
SMILESCC1=CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/C7H15N.C7H13N.C6H14N2/c3*1-7-3-5-8(2)6-4-7/h7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;3-6H2,1-2H3
InChIKeyGGKPHCMBBWEISP-UHFFFAOYSA-N
MW338.58 g/mol
LogP2.48
Rot. Bonds

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

1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine (PubChem CID 158248494) has the molecular formula C20H42N4 and a molecular weight of 338.58 g/mol. Its IUPAC name is 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine.

Molecular Properties

Compound Name1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine
PubChem CID158248494
Molecular FormulaC20H42N4
Molecular Weight338.58 g/mol
Exact Mass338.34
IUPAC Name1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine
SMILESCC1=CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/C7H15N.C7H13N.C6H14N2/c3*1-7-3-5-8(2)6-4-7/h7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;3-6H2,1-2H3
InChIKeyGGKPHCMBBWEISP-UHFFFAOYSA-N
XLogP2.48
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.58
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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;1,4-dimethylpiperazine;1,4-dimethylpiperidine?
The IUPAC name of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine (CID 158248494) is 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine.
What is the SMILES notation for 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine?
The canonical SMILES for 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine is CC1=CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine?
The InChIKey is GGKPHCMBBWEISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C7H13N.C6H14N2/c3*1-7-3-5-8(2)6-4-7/h7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;3-6H2,1-2H3.
What are the key properties of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine?
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine has a molecular weight of 338.58 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine is sourced from PubChem (CID 158248494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).