3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine

C10H20F3N3 — CID 63603154

IUPAC3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine
SMILESCC1CN(C(CCN)C(F)(F)F)CCN1C
InChIInChI=1S/C10H20F3N3/c1-8-7-16(6-5-15(8)2)9(3-4-14)10(11,12)13/h8-9H,3-7,14H2,1-2H3
InChIKeyUEISNFZYHAVRPR-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.90
Rot. Bonds3

About 3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine

3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine (PubChem CID 63603154) has the molecular formula C10H20F3N3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine
PubChem CID63603154
Molecular FormulaC10H20F3N3
Molecular Weight239.28 g/mol
Exact Mass239.16
IUPAC Name3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine
SMILESCC1CN(C(CCN)C(F)(F)F)CCN1C
InChIInChI=1S/C10H20F3N3/c1-8-7-16(6-5-15(8)2)9(3-4-14)10(11,12)13/h8-9H,3-7,14H2,1-2H3
InChIKeyUEISNFZYHAVRPR-UHFFFAOYSA-N
XLogP0.90
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-3-carboxamide
CID 43753070
4,4,4-trifluoro-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
CID 102882879
3-(4,4-dimethylazepan-1-yl)-4,4,4-trifluorobutan-1-amine
CID 65283826
2-(4-chlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 63605366
methyl 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-4-carboxylate
CID 63382675
3-(3,4-dimethylpiperazin-1-yl)-N-ethylbutan-1-amine
CID 63621653
(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2S,6S)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine
CID 158704033
1-(3,4-dimethylpiperazin-1-yl)butan-2-ol
CID 63633779
2-(4-chloro-3-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 63605224
3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-4,4,4-trifluorobutan-1-amine
CID 114086435
2-(3,4-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 112539245
(2S)-1-amino-3-(3,4-dimethylpiperazin-1-yl)propan-2-ol
CID 130492464

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine (CID 63603154) is 3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine is CC1CN(C(CCN)C(F)(F)F)CCN1C.
What is the InChIKey of 3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is UEISNFZYHAVRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3/c1-8-7-16(6-5-15(8)2)9(3-4-14)10(11,12)13/h8-9H,3-7,14H2,1-2H3.
What are the key properties of 3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine?
3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 63603154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).