N-butyl-2,2,6,6-tetramethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-amine

C22H45N3 — CID 22044278

IUPACN-butyl-2,2,6,6-tetramethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-amine
SMILESCCCCNC1CC(C)(C)N(C2CC(C)(C)NC(C)(C)C2)C(C)(C)C1
InChIInChI=1S/C22H45N3/c1-10-11-12-23-17-13-21(6,7)25(22(8,9)14-17)18-15-19(2,3)24-20(4,5)16-18/h17-18,23-24H,10-16H2,1-9H3
InChIKeyHGMNQUPVYNXLOK-UHFFFAOYSA-N
MW351.62 g/mol
LogP4.71
Rot. Bonds5

About N-butyl-2,2,6,6-tetramethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-amine

N-butyl-2,2,6,6-tetramethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-amine (PubChem CID 22044278) has the molecular formula C22H45N3 and a molecular weight of 351.62 g/mol. Its IUPAC name is N-butyl-2,2,6,6-tetramethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-butyl-2,2,6,6-tetramethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-amine
PubChem CID22044278
Molecular FormulaC22H45N3
Molecular Weight351.62 g/mol
Exact Mass351.36
IUPAC NameN-butyl-2,2,6,6-tetramethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-amine
SMILESCCCCNC1CC(C)(C)N(C2CC(C)(C)NC(C)(C)C2)C(C)(C)C1
InChIInChI=1S/C22H45N3/c1-10-11-12-23-17-13-21(6,7)25(22(8,9)14-17)18-15-19(2,3)24-20(4,5)16-18/h17-18,23-24H,10-16H2,1-9H3
InChIKeyHGMNQUPVYNXLOK-UHFFFAOYSA-N
XLogP4.71
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.62
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2,6,6-tetramethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-amine?
The IUPAC name of N-butyl-2,2,6,6-tetramethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-amine (CID 22044278) is N-butyl-2,2,6,6-tetramethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-butyl-2,2,6,6-tetramethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-butyl-2,2,6,6-tetramethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-amine is CCCCNC1CC(C)(C)N(C2CC(C)(C)NC(C)(C)C2)C(C)(C)C1.
What is the InChIKey of N-butyl-2,2,6,6-tetramethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-amine?
The InChIKey is HGMNQUPVYNXLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N3/c1-10-11-12-23-17-13-21(6,7)25(22(8,9)14-17)18-15-19(2,3)24-20(4,5)16-18/h17-18,23-24H,10-16H2,1-9H3.
What are the key properties of N-butyl-2,2,6,6-tetramethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-amine?
N-butyl-2,2,6,6-tetramethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-amine has a molecular weight of 351.62 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2,6,6-tetramethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 22044278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).