1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanimine

C13H25N3 — CID 59020792

IUPAC1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCC(C2CCN(C)CC2)CC1
InChIInChI=1S/C13H25N3/c1-11(14)16-9-5-13(6-10-16)12-3-7-15(2)8-4-12/h12-14H,3-10H2,1-2H3/b14-11+
InChIKeyWHOXEUROSVURHD-SDNWHVSQSA-N
MW223.36 g/mol
LogP2.04
Rot. Bonds1

About 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanimine

1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanimine (PubChem CID 59020792) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanimine.

Molecular Properties

Compound Name1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanimine
PubChem CID59020792
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCC(C2CCN(C)CC2)CC1
InChIInChI=1S/C13H25N3/c1-11(14)16-9-5-13(6-10-16)12-3-7-15(2)8-4-12/h12-14H,3-10H2,1-2H3/b14-11+
InChIKeyWHOXEUROSVURHD-SDNWHVSQSA-N
XLogP2.04
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanimine?
The IUPAC name of 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanimine (CID 59020792) is 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanimine.
What is the SMILES notation for 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanimine?
The canonical SMILES for 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanimine is [H]/N=C(\C)N1CCC(C2CCN(C)CC2)CC1.
What is the InChIKey of 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanimine?
The InChIKey is WHOXEUROSVURHD-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H25N3/c1-11(14)16-9-5-13(6-10-16)12-3-7-15(2)8-4-12/h12-14H,3-10H2,1-2H3/b14-11+.
What are the key properties of 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanimine?
1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanimine has a molecular weight of 223.36 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanimine is sourced from PubChem (CID 59020792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).