N-[2,2-difluoro-3-[(6-piperazin-1-yl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine

C16H26F2N4O — CID 177295907

IUPACN-[2,2-difluoro-3-[(6-piperazin-1-yl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)(F)COc1ccc(N2CCNCC2)nc1
InChIInChI=1S/C16H26F2N4O/c1-15(2,3)21-11-16(17,18)12-23-13-4-5-14(20-10-13)22-8-6-19-7-9-22/h4-5,10,19,21H,6-9,11-12H2,1-3H3
InChIKeyJIKGOXPETACMIV-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.89
Rot. Bonds6

About N-[2,2-difluoro-3-[(6-piperazin-1-yl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine

N-[2,2-difluoro-3-[(6-piperazin-1-yl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine (PubChem CID 177295907) has the molecular formula C16H26F2N4O and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[2,2-difluoro-3-[(6-piperazin-1-yl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2,2-difluoro-3-[(6-piperazin-1-yl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine
PubChem CID177295907
Molecular FormulaC16H26F2N4O
Molecular Weight328.41 g/mol
Exact Mass328.21
IUPAC NameN-[2,2-difluoro-3-[(6-piperazin-1-yl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)(F)COc1ccc(N2CCNCC2)nc1
InChIInChI=1S/C16H26F2N4O/c1-15(2,3)21-11-16(17,18)12-23-13-4-5-14(20-10-13)22-8-6-19-7-9-22/h4-5,10,19,21H,6-9,11-12H2,1-3H3
InChIKeyJIKGOXPETACMIV-UHFFFAOYSA-N
XLogP1.89
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2,2-difluoro-3-[(6-piperazin-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-[2,2-difluoro-3-[(6-piperazin-1-yl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2,2-difluoro-3-[(6-piperazin-1-yl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine (CID 177295907) is N-[2,2-difluoro-3-[(6-piperazin-1-yl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2,2-difluoro-3-[(6-piperazin-1-yl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2,2-difluoro-3-[(6-piperazin-1-yl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine is CC(C)(C)NCC(F)(F)COc1ccc(N2CCNCC2)nc1.
What is the InChIKey of N-[2,2-difluoro-3-[(6-piperazin-1-yl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine?
The InChIKey is JIKGOXPETACMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2N4O/c1-15(2,3)21-11-16(17,18)12-23-13-4-5-14(20-10-13)22-8-6-19-7-9-22/h4-5,10,19,21H,6-9,11-12H2,1-3H3.
What are the key properties of N-[2,2-difluoro-3-[(6-piperazin-1-yl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine?
N-[2,2-difluoro-3-[(6-piperazin-1-yl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine has a molecular weight of 328.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-difluoro-3-[(6-piperazin-1-yl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 177295907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).