1-(4-piperidin-4-ylcyclohexyl)ethanimine

C13H24N2 — CID 90931366

IUPAC1-(4-piperidin-4-ylcyclohexyl)ethanimine
SMILES[H]/N=C(\C)C1CCC(C2CCNCC2)CC1
InChIInChI=1S/C13H24N2/c1-10(14)11-2-4-12(5-3-11)13-6-8-15-9-7-13/h11-15H,2-9H2,1H3/b14-10+
InChIKeyKURAHWMNQFFWKP-GXDHUFHOSA-N
MW208.35 g/mol
LogP2.83
Rot. Bonds2

About 1-(4-piperidin-4-ylcyclohexyl)ethanimine

1-(4-piperidin-4-ylcyclohexyl)ethanimine (PubChem CID 90931366) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-(4-piperidin-4-ylcyclohexyl)ethanimine.

Molecular Properties

Compound Name1-(4-piperidin-4-ylcyclohexyl)ethanimine
PubChem CID90931366
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-(4-piperidin-4-ylcyclohexyl)ethanimine
SMILES[H]/N=C(\C)C1CCC(C2CCNCC2)CC1
InChIInChI=1S/C13H24N2/c1-10(14)11-2-4-12(5-3-11)13-6-8-15-9-7-13/h11-15H,2-9H2,1H3/b14-10+
InChIKeyKURAHWMNQFFWKP-GXDHUFHOSA-N
XLogP2.83
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-4-ylcyclohexyl)ethanimine?
The IUPAC name of 1-(4-piperidin-4-ylcyclohexyl)ethanimine (CID 90931366) is 1-(4-piperidin-4-ylcyclohexyl)ethanimine.
What is the SMILES notation for 1-(4-piperidin-4-ylcyclohexyl)ethanimine?
The canonical SMILES for 1-(4-piperidin-4-ylcyclohexyl)ethanimine is [H]/N=C(\C)C1CCC(C2CCNCC2)CC1.
What is the InChIKey of 1-(4-piperidin-4-ylcyclohexyl)ethanimine?
The InChIKey is KURAHWMNQFFWKP-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H24N2/c1-10(14)11-2-4-12(5-3-11)13-6-8-15-9-7-13/h11-15H,2-9H2,1H3/b14-10+.
What are the key properties of 1-(4-piperidin-4-ylcyclohexyl)ethanimine?
1-(4-piperidin-4-ylcyclohexyl)ethanimine has a molecular weight of 208.35 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-4-ylcyclohexyl)ethanimine is sourced from PubChem (CID 90931366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).