2,2-difluoro-3-(4-piperazin-1-ylbutoxy)propan-1-amine

C11H23F2N3O — CID 163623639

IUPAC2,2-difluoro-3-(4-piperazin-1-ylbutoxy)propan-1-amine
SMILESNCC(F)(F)COCCCCN1CCNCC1
InChIInChI=1S/C11H23F2N3O/c12-11(13,9-14)10-17-8-2-1-5-16-6-3-15-4-7-16/h15H,1-10,14H2
InChIKeyHQGFJOBUAYQZEH-UHFFFAOYSA-N
MW251.32 g/mol
LogP0.28
Rot. Bonds8

About 2,2-difluoro-3-(4-piperazin-1-ylbutoxy)propan-1-amine

2,2-difluoro-3-(4-piperazin-1-ylbutoxy)propan-1-amine (PubChem CID 163623639) has the molecular formula C11H23F2N3O and a molecular weight of 251.32 g/mol. Its IUPAC name is 2,2-difluoro-3-(4-piperazin-1-ylbutoxy)propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-(4-piperazin-1-ylbutoxy)propan-1-amine
PubChem CID163623639
Molecular FormulaC11H23F2N3O
Molecular Weight251.32 g/mol
Exact Mass251.18
IUPAC Name2,2-difluoro-3-(4-piperazin-1-ylbutoxy)propan-1-amine
SMILESNCC(F)(F)COCCCCN1CCNCC1
InChIInChI=1S/C11H23F2N3O/c12-11(13,9-14)10-17-8-2-1-5-16-6-3-15-4-7-16/h15H,1-10,14H2
InChIKeyHQGFJOBUAYQZEH-UHFFFAOYSA-N
XLogP0.28
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2,2,2-Trifluoroethoxy)propyl]piperazine
CID 45792290
2-[4-(2,2-Difluoroethoxy)piperidin-1-yl]ethan-1-amine
CID 155858597
1-(2,2-Difluoro-3-methoxypropyl)piperazine
CID 68013394
1-[3-(Trifluoromethoxy)propyl]piperazine
CID 89774306
N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine
CID 134488844
N-[2,2-difluoro-3-[4-(4-methylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine
CID 134492953
N-[3-[4-(4-tert-butylpiperazin-1-yl)butoxy]-2,2-difluoropropyl]-2-methylpropan-2-amine
CID 135273168
2,2-difluoro-N-propan-2-yl-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propan-1-amine
CID 139572056
2,2-Difluoro-3-[4-[4-(2-methoxyethyl)piperazin-1-yl]butoxy]propan-1-amine
CID 139577013
3-[4-(4-Ethylpiperazin-1-yl)butoxy]-2,2-difluoropropan-1-amine;molecular hydrogen
CID 142367734
1-[4-(2,2-Difluoro-3-methoxypropoxy)butyl]piperazine;ethane
CID 142368046
2,2-difluoro-N-methyl-3-(4-piperazin-1-ylbutoxy)propan-1-amine;ethane
CID 142386155

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(4-piperazin-1-ylbutoxy)propan-1-amine?
The IUPAC name of 2,2-difluoro-3-(4-piperazin-1-ylbutoxy)propan-1-amine (CID 163623639) is 2,2-difluoro-3-(4-piperazin-1-ylbutoxy)propan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-(4-piperazin-1-ylbutoxy)propan-1-amine?
The canonical SMILES for 2,2-difluoro-3-(4-piperazin-1-ylbutoxy)propan-1-amine is NCC(F)(F)COCCCCN1CCNCC1.
What is the InChIKey of 2,2-difluoro-3-(4-piperazin-1-ylbutoxy)propan-1-amine?
The InChIKey is HQGFJOBUAYQZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2N3O/c12-11(13,9-14)10-17-8-2-1-5-16-6-3-15-4-7-16/h15H,1-10,14H2.
What are the key properties of 2,2-difluoro-3-(4-piperazin-1-ylbutoxy)propan-1-amine?
2,2-difluoro-3-(4-piperazin-1-ylbutoxy)propan-1-amine has a molecular weight of 251.32 g/mol, XLogP of 0.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(4-piperazin-1-ylbutoxy)propan-1-amine is sourced from PubChem (CID 163623639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).