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

C16H25ClN2O — CID 28675051

IUPAC4-chloro-2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol
SMILESCC1(C)CC(NCc2cc(Cl)ccc2O)CC(C)(C)N1
InChIInChI=1S/C16H25ClN2O/c1-15(2)8-13(9-16(3,4)19-15)18-10-11-7-12(17)5-6-14(11)20/h5-7,13,18-20H,8-10H2,1-4H3
InChIKeyBMQVBZBBRXBFPY-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.44
Rot. Bonds3

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

4-chloro-2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol (PubChem CID 28675051) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 4-chloro-2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol
PubChem CID28675051
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name4-chloro-2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol
SMILESCC1(C)CC(NCc2cc(Cl)ccc2O)CC(C)(C)N1
InChIInChI=1S/C16H25ClN2O/c1-15(2)8-13(9-16(3,4)19-15)18-10-11-7-12(17)5-6-14(11)20/h5-7,13,18-20H,8-10H2,1-4H3
InChIKeyBMQVBZBBRXBFPY-UHFFFAOYSA-N
XLogP3.44
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', '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)amino]methyl]phenol?
The IUPAC name of 4-chloro-2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol (CID 28675051) is 4-chloro-2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol?
The canonical SMILES for 4-chloro-2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol is CC1(C)CC(NCc2cc(Cl)ccc2O)CC(C)(C)N1.
What is the InChIKey of 4-chloro-2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol?
The InChIKey is BMQVBZBBRXBFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-15(2)8-13(9-16(3,4)19-15)18-10-11-7-12(17)5-6-14(11)20/h5-7,13,18-20H,8-10H2,1-4H3.
What are the key properties of 4-chloro-2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol?
4-chloro-2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol has a molecular weight of 296.84 g/mol, XLogP of 3.44, 3 rotatable bonds, 3 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)amino]methyl]phenol is sourced from PubChem (CID 28675051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).