1-methylpiperidin-4-imine

C6H12N2 — CID 22002514

IUPAC1-methylpiperidin-4-imine
SMILES[H]N=C1CCN(C)CC1
InChIInChI=1S/C6H12N2/c1-8-4-2-6(7)3-5-8/h7H,2-5H2,1H3
InChIKeyXWZZHZWWCVWBJV-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.73
Rot. Bonds

About 1-methylpiperidin-4-imine

1-methylpiperidin-4-imine (PubChem CID 22002514) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1-methylpiperidin-4-imine.

Molecular Properties

Compound Name1-methylpiperidin-4-imine
PubChem CID22002514
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1-methylpiperidin-4-imine
SMILES[H]N=C1CCN(C)CC1
InChIInChI=1S/C6H12N2/c1-8-4-2-6(7)3-5-8/h7H,2-5H2,1H3
InChIKeyXWZZHZWWCVWBJV-UHFFFAOYSA-N
XLogP0.73
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-methylazepane-4,5-dione
CID 154317787
ethane;1,4,5-trimethyl-2,3,6,7-tetrahydroazepine
CID 170729600
1,4,7-trimethyl-1,4,7-triazecane
CID 15461213
1,4,8,12-tetramethyl-1,4,8,12-tetrazacyclopentadecane
CID 15198794
1-methylpyrrolidine;phosphane
CID 159655297
1-methylpiperidine
CID 160757527
ethane;bis(1-methylpyrrolidine)
CID 153385238
1-methylpiperidine
CID 90254979
CID 172772830
CID 172772830
methoxymethane;1-methylazepan-4-one
CID 143907303
1,4-dimethylpiperazine;ethane
CID 91292414
cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidin-4-imine?
The IUPAC name of 1-methylpiperidin-4-imine (CID 22002514) is 1-methylpiperidin-4-imine.
What is the SMILES notation for 1-methylpiperidin-4-imine?
The canonical SMILES for 1-methylpiperidin-4-imine is [H]N=C1CCN(C)CC1.
What is the InChIKey of 1-methylpiperidin-4-imine?
The InChIKey is XWZZHZWWCVWBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-8-4-2-6(7)3-5-8/h7H,2-5H2,1H3.
What are the key properties of 1-methylpiperidin-4-imine?
1-methylpiperidin-4-imine has a molecular weight of 112.18 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidin-4-imine is sourced from PubChem (CID 22002514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).