2,2-difluoro-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine

C9H19F2N3 — CID 165464315

IUPAC2,2-difluoro-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCNCC(F)(F)CN1CCN(C)CC1
InChIInChI=1S/C9H19F2N3/c1-12-7-9(10,11)8-14-5-3-13(2)4-6-14/h12H,3-8H2,1-2H3
InChIKeySKEJUROTDAOMOC-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.09
Rot. Bonds4

About 2,2-difluoro-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine

2,2-difluoro-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 165464315) has the molecular formula C9H19F2N3 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID165464315
Molecular FormulaC9H19F2N3
Molecular Weight207.27 g/mol
Exact Mass207.15
IUPAC Name2,2-difluoro-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCNCC(F)(F)CN1CCN(C)CC1
InChIInChI=1S/C9H19F2N3/c1-12-7-9(10,11)8-14-5-3-13(2)4-6-14/h12H,3-8H2,1-2H3
InChIKeySKEJUROTDAOMOC-UHFFFAOYSA-N
XLogP0.09
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(2,2,2-trifluoroethyl)piperazine
CID 23236212
N-tert-butyl-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 166832141
3-(3-azabicyclo[4.1.0]heptan-3-yl)-2,2-difluoro-N-methylpropan-1-amine
CID 165466745
1-(2,2-dimethylpropyl)-4-methylpiperazine
CID 12566800
2-[4-[4-[2,2-difluoro-3-(methylamino)propoxy]butyl]piperazin-1-yl]ethanol
CID 142386101
2-[4-[4-[2,2-difluoro-3-(methylamino)propoxy]butyl]piperazin-1-yl]ethanol;ethane
CID 142386100
ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine
CID 145006572
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
7-methyl-4,10-bis(2,2,2-trifluoroethyl)-16,21-dioxa-1,4,7,10,13-pentazabicyclo[11.5.5]tricosane
CID 174301969
2-fluoro-N,2-dimethyl-3-(1-methylpiperidin-4-yl)propan-1-amine
CID 105454869
1-methyl-4-(2,2,4,4-tetramethylpentyl)piperazine
CID 163906125
3-[(4-methylpiperazin-1-yl)methyl]pentan-3-amine
CID 79814472

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 2,2-difluoro-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine (CID 165464315) is 2,2-difluoro-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 2,2-difluoro-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 2,2-difluoro-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine is CNCC(F)(F)CN1CCN(C)CC1.
What is the InChIKey of 2,2-difluoro-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is SKEJUROTDAOMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2N3/c1-12-7-9(10,11)8-14-5-3-13(2)4-6-14/h12H,3-8H2,1-2H3.
What are the key properties of 2,2-difluoro-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
2,2-difluoro-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 207.27 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 165464315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).