N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-amine

C16H34N2O — CID 16726371

IUPACN-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-amine
SMILESCCCCNC1CC(C)(C)N(OCCC)C(C)(C)C1
InChIInChI=1S/C16H34N2O/c1-7-9-10-17-14-12-15(3,4)18(19-11-8-2)16(5,6)13-14/h14,17H,7-13H2,1-6H3
InChIKeyUSGMNGOAAHCBBJ-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.74
Rot. Bonds7

About N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-amine

N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-amine (PubChem CID 16726371) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-amine.

Molecular Properties

Compound NameN-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-amine
PubChem CID16726371
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-amine
SMILESCCCCNC1CC(C)(C)N(OCCC)C(C)(C)C1
InChIInChI=1S/C16H34N2O/c1-7-9-10-17-14-12-15(3,4)18(19-11-8-2)16(5,6)13-14/h14,17H,7-13H2,1-6H3
InChIKeyUSGMNGOAAHCBBJ-UHFFFAOYSA-N
XLogP3.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
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-propoxypiperidin-4-amine?
The IUPAC name of N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-amine (CID 16726371) is N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-amine.
What is the SMILES notation for N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-amine?
The canonical SMILES for N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-amine is CCCCNC1CC(C)(C)N(OCCC)C(C)(C)C1.
What is the InChIKey of N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-amine?
The InChIKey is USGMNGOAAHCBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-7-9-10-17-14-12-15(3,4)18(19-11-8-2)16(5,6)13-14/h14,17H,7-13H2,1-6H3.
What are the key properties of N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-amine?
N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-amine has a molecular weight of 270.46 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 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-propoxypiperidin-4-amine is sourced from PubChem (CID 16726371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).