1,4-dimethylpiperidine;ethane;heptane

C20H49N — CID 156708934

IUPAC1,4-dimethylpiperidine;ethane;heptane
SMILESCC.CC.CC.CC1CCN(C)CC1.CCCCCCC
InChIInChI=1S/C7H15N.C7H16.3C2H6/c1-7-3-5-8(2)6-4-7;1-3-5-7-6-4-2;3*1-2/h7H,3-6H2,1-2H3;3-7H2,1-2H3;3*1-2H3
InChIKeyJIEQVIOKTNDYSX-UHFFFAOYSA-N
MW303.62 g/mol
LogP7.40
Rot. Bonds4

About 1,4-dimethylpiperidine;ethane;heptane

1,4-dimethylpiperidine;ethane;heptane (PubChem CID 156708934) has the molecular formula C20H49N and a molecular weight of 303.62 g/mol. Its IUPAC name is 1,4-dimethylpiperidine;ethane;heptane.

Molecular Properties

Compound Name1,4-dimethylpiperidine;ethane;heptane
PubChem CID156708934
Molecular FormulaC20H49N
Molecular Weight303.62 g/mol
Exact Mass303.39
IUPAC Name1,4-dimethylpiperidine;ethane;heptane
SMILESCC.CC.CC.CC1CCN(C)CC1.CCCCCCC
InChIInChI=1S/C7H15N.C7H16.3C2H6/c1-7-3-5-8(2)6-4-7;1-3-5-7-6-4-2;3*1-2/h7H,3-6H2,1-2H3;3-7H2,1-2H3;3*1-2H3
InChIKeyJIEQVIOKTNDYSX-UHFFFAOYSA-N
XLogP7.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.62
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperidine;ethane;heptane?
The IUPAC name of 1,4-dimethylpiperidine;ethane;heptane (CID 156708934) is 1,4-dimethylpiperidine;ethane;heptane.
What is the SMILES notation for 1,4-dimethylpiperidine;ethane;heptane?
The canonical SMILES for 1,4-dimethylpiperidine;ethane;heptane is CC.CC.CC.CC1CCN(C)CC1.CCCCCCC.
What is the InChIKey of 1,4-dimethylpiperidine;ethane;heptane?
The InChIKey is JIEQVIOKTNDYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C7H16.3C2H6/c1-7-3-5-8(2)6-4-7;1-3-5-7-6-4-2;3*1-2/h7H,3-6H2,1-2H3;3-7H2,1-2H3;3*1-2H3.
What are the key properties of 1,4-dimethylpiperidine;ethane;heptane?
1,4-dimethylpiperidine;ethane;heptane has a molecular weight of 303.62 g/mol, XLogP of 7.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperidine;ethane;heptane is sourced from PubChem (CID 156708934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).