4-chloro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)iminomethyl]phenol

C16H23ClN2O — CID 135595231

IUPAC4-chloro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)iminomethyl]phenol
SMILESCC1(C)CC(/N=C/c2cc(Cl)ccc2O)CC(C)(C)N1
InChIInChI=1S/C16H23ClN2O/c1-15(2)8-13(9-16(3,4)19-15)18-10-11-7-12(17)5-6-14(11)20/h5-7,10,13,19-20H,8-9H2,1-4H3/b18-10+
InChIKeyRIQOYWHZYKGCLN-VCHYOVAHSA-N
MW294.83 g/mol
LogP3.77
Rot. Bonds2

About 4-chloro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)iminomethyl]phenol

4-chloro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)iminomethyl]phenol (PubChem CID 135595231) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 4-chloro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)iminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)iminomethyl]phenol
PubChem CID135595231
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name4-chloro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)iminomethyl]phenol
SMILESCC1(C)CC(/N=C/c2cc(Cl)ccc2O)CC(C)(C)N1
InChIInChI=1S/C16H23ClN2O/c1-15(2)8-13(9-16(3,4)19-15)18-10-11-7-12(17)5-6-14(11)20/h5-7,10,13,19-20H,8-9H2,1-4H3/b18-10+
InChIKeyRIQOYWHZYKGCLN-VCHYOVAHSA-N
XLogP3.77
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-chloro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)iminomethyl]phenol?
The IUPAC name of 4-chloro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)iminomethyl]phenol (CID 135595231) is 4-chloro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)iminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)iminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)iminomethyl]phenol is CC1(C)CC(/N=C/c2cc(Cl)ccc2O)CC(C)(C)N1.
What is the InChIKey of 4-chloro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)iminomethyl]phenol?
The InChIKey is RIQOYWHZYKGCLN-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-15(2)8-13(9-16(3,4)19-15)18-10-11-7-12(17)5-6-14(11)20/h5-7,10,13,19-20H,8-9H2,1-4H3/b18-10+.
What are the key properties of 4-chloro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)iminomethyl]phenol?
4-chloro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)iminomethyl]phenol has a molecular weight of 294.83 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)iminomethyl]phenol is sourced from PubChem (CID 135595231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).