1-(2-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine

C16H23ClN2 — CID 154282633

IUPAC1-(2-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine
SMILESCC1(C)CC(/N=C/c2ccccc2Cl)CC(C)(C)N1
InChIInChI=1S/C16H23ClN2/c1-15(2)9-13(10-16(3,4)19-15)18-11-12-7-5-6-8-14(12)17/h5-8,11,13,19H,9-10H2,1-4H3/b18-11+
InChIKeyFMCQHCQHONXULF-WOJGMQOQSA-N
MW278.83 g/mol
LogP4.07
Rot. Bonds2

About 1-(2-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine

1-(2-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine (PubChem CID 154282633) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine
PubChem CID154282633
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name1-(2-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine
SMILESCC1(C)CC(/N=C/c2ccccc2Cl)CC(C)(C)N1
InChIInChI=1S/C16H23ClN2/c1-15(2)9-13(10-16(3,4)19-15)18-11-12-7-5-6-8-14(12)17/h5-8,11,13,19H,9-10H2,1-4H3/b18-11+
InChIKeyFMCQHCQHONXULF-WOJGMQOQSA-N
XLogP4.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 54.07
H-Bond Donors ≤ 51
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-(2-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine?
The IUPAC name of 1-(2-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine (CID 154282633) is 1-(2-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine is CC1(C)CC(/N=C/c2ccccc2Cl)CC(C)(C)N1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine?
The InChIKey is FMCQHCQHONXULF-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-15(2)9-13(10-16(3,4)19-15)18-11-12-7-5-6-8-14(12)17/h5-8,11,13,19H,9-10H2,1-4H3/b18-11+.
What are the key properties of 1-(2-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine?
1-(2-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine has a molecular weight of 278.83 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine is sourced from PubChem (CID 154282633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).