4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine

C15H25N3 — CID 15322896

IUPAC4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine
SMILESCC1(C)CC(Nc2ccc(N)cc2)CC(C)(C)N1
InChIInChI=1S/C15H25N3/c1-14(2)9-13(10-15(3,4)18-14)17-12-7-5-11(16)6-8-12/h5-8,13,17-18H,9-10,16H2,1-4H3
InChIKeyHYIJEWOVQCBEDL-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.99
Rot. Bonds2

About 4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine

4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine (PubChem CID 15322896) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine
PubChem CID15322896
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine
SMILESCC1(C)CC(Nc2ccc(N)cc2)CC(C)(C)N1
InChIInChI=1S/C15H25N3/c1-14(2)9-13(10-15(3,4)18-14)17-12-7-5-11(16)6-8-12/h5-8,13,17-18H,9-10,16H2,1-4H3
InChIKeyHYIJEWOVQCBEDL-UHFFFAOYSA-N
XLogP2.99
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine (CID 15322896) is 4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine is CC1(C)CC(Nc2ccc(N)cc2)CC(C)(C)N1.
What is the InChIKey of 4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine?
The InChIKey is HYIJEWOVQCBEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-14(2)9-13(10-15(3,4)18-14)17-12-7-5-11(16)6-8-12/h5-8,13,17-18H,9-10,16H2,1-4H3.
What are the key properties of 4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine?
4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 15322896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).