N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine

C20H36N4O — CID 134488841

IUPACN-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCOc1ccc(N2CCN(C(C)(C)C)CC2)nc1
InChIInChI=1S/C20H36N4O/c1-19(2,3)22-10-7-15-25-17-8-9-18(21-16-17)23-11-13-24(14-12-23)20(4,5)6/h8-9,16,22H,7,10-15H2,1-6H3
InChIKeyRYPDBXKZRNUFJY-UHFFFAOYSA-N
MW348.54 g/mol
LogP3.16
Rot. Bonds6

About N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine

N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine (PubChem CID 134488841) has the molecular formula C20H36N4O and a molecular weight of 348.54 g/mol. Its IUPAC name is N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine
PubChem CID134488841
Molecular FormulaC20H36N4O
Molecular Weight348.54 g/mol
Exact Mass348.29
IUPAC NameN-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCOc1ccc(N2CCN(C(C)(C)C)CC2)nc1
InChIInChI=1S/C20H36N4O/c1-19(2,3)22-10-7-15-25-17-8-9-18(21-16-17)23-11-13-24(14-12-23)20(4,5)6/h8-9,16,22H,7,10-15H2,1-6H3
InChIKeyRYPDBXKZRNUFJY-UHFFFAOYSA-N
XLogP3.16
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine (CID 134488841) is N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine is CC(C)(C)NCCCOc1ccc(N2CCN(C(C)(C)C)CC2)nc1.
What is the InChIKey of N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine?
The InChIKey is RYPDBXKZRNUFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O/c1-19(2,3)22-10-7-15-25-17-8-9-18(21-16-17)23-11-13-24(14-12-23)20(4,5)6/h8-9,16,22H,7,10-15H2,1-6H3.
What are the key properties of N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine?
N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine has a molecular weight of 348.54 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 134488841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).