N-[[4-(dimethylamino)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine

C18H31N3 — CID 729209

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCN(C)c1ccc(CNC2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C18H31N3/c1-17(2)11-15(12-18(3,4)20-17)19-13-14-7-9-16(10-8-14)21(5)6/h7-10,15,19-20H,11-13H2,1-6H3
InChIKeyQHOMAMNYIIILEC-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.15
Rot. Bonds4

About N-[[4-(dimethylamino)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine

N-[[4-(dimethylamino)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 729209) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID729209
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCN(C)c1ccc(CNC2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C18H31N3/c1-17(2)11-15(12-18(3,4)20-17)19-13-14-7-9-16(10-8-14)21(5)6/h7-10,15,19-20H,11-13H2,1-6H3
InChIKeyQHOMAMNYIIILEC-UHFFFAOYSA-N
XLogP3.15
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine (CID 729209) is N-[[4-(dimethylamino)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine is CN(C)c1ccc(CNC2CC(C)(C)NC(C)(C)C2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is QHOMAMNYIIILEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-17(2)11-15(12-18(3,4)20-17)19-13-14-7-9-16(10-8-14)21(5)6/h7-10,15,19-20H,11-13H2,1-6H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
N-[[4-(dimethylamino)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 289.47 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 729209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).