1-(4-chlorophenyl)-N-methoxy-2-piperidin-1-ylethanimine

C14H19ClN2O — CID 3778036

IUPAC1-(4-chlorophenyl)-N-methoxy-2-piperidin-1-ylethanimine
SMILESCON=C(CN1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-18-16-14(11-17-9-3-2-4-10-17)12-5-7-13(15)8-6-12/h5-8H,2-4,9-11H2,1H3
InChIKeyCKBWNTMAXHZJQJ-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.18
Rot. Bonds4

About 1-(4-chlorophenyl)-N-methoxy-2-piperidin-1-ylethanimine

1-(4-chlorophenyl)-N-methoxy-2-piperidin-1-ylethanimine (PubChem CID 3778036) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methoxy-2-piperidin-1-ylethanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methoxy-2-piperidin-1-ylethanimine
PubChem CID3778036
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-(4-chlorophenyl)-N-methoxy-2-piperidin-1-ylethanimine
SMILESCON=C(CN1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-18-16-14(11-17-9-3-2-4-10-17)12-5-7-13(15)8-6-12/h5-8H,2-4,9-11H2,1H3
InChIKeyCKBWNTMAXHZJQJ-UHFFFAOYSA-N
XLogP3.18
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methoxy-2-piperidin-1-ylethanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-methoxy-2-piperidin-1-ylethanimine (CID 3778036) is 1-(4-chlorophenyl)-N-methoxy-2-piperidin-1-ylethanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methoxy-2-piperidin-1-ylethanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methoxy-2-piperidin-1-ylethanimine is CON=C(CN1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methoxy-2-piperidin-1-ylethanimine?
The InChIKey is CKBWNTMAXHZJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-18-16-14(11-17-9-3-2-4-10-17)12-5-7-13(15)8-6-12/h5-8H,2-4,9-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-methoxy-2-piperidin-1-ylethanimine?
1-(4-chlorophenyl)-N-methoxy-2-piperidin-1-ylethanimine has a molecular weight of 266.77 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methoxy-2-piperidin-1-ylethanimine is sourced from PubChem (CID 3778036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).