N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4,4-trifluorobutan-1-amine

C11H22F3N3 — CID 113326353

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
SMILESCN1CCN(C)C(CNCCCC(F)(F)F)C1
InChIInChI=1S/C11H22F3N3/c1-16-6-7-17(2)10(9-16)8-15-5-3-4-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyGOMLFHTXGJWGIQ-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.16
Rot. Bonds5

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4,4-trifluorobutan-1-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4,4-trifluorobutan-1-amine (PubChem CID 113326353) has the molecular formula C11H22F3N3 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
PubChem CID113326353
Molecular FormulaC11H22F3N3
Molecular Weight253.31 g/mol
Exact Mass253.18
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
SMILESCN1CCN(C)C(CNCCCC(F)(F)F)C1
InChIInChI=1S/C11H22F3N3/c1-16-6-7-17(2)10(9-16)8-15-5-3-4-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyGOMLFHTXGJWGIQ-UHFFFAOYSA-N
XLogP1.16
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]heptan-1-amine
CID 63899137
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 103409514
4-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,2-dimethylbutanenitrile
CID 65253055
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-6,6,6-trifluorohexan-2-amine
CID 115517604
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 63898158
1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 45099459
1-(1,4-dimethylpiperazin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 63896516
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326322
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylbutan-1-amine
CID 63896874
N-(cyclohexylmethyl)-4,4,4-trifluorobutan-1-amine
CID 115486702
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,5-dimethylhexan-2-amine
CID 114279927
3-[(1,4-dimethylpiperazin-2-yl)methylamino]propane-1,2-diol
CID 77011342

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4,4-trifluorobutan-1-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4,4-trifluorobutan-1-amine (CID 113326353) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4,4-trifluorobutan-1-amine is CN1CCN(C)C(CNCCCC(F)(F)F)C1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4,4-trifluorobutan-1-amine?
The InChIKey is GOMLFHTXGJWGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3/c1-16-6-7-17(2)10(9-16)8-15-5-3-4-11(12,13)14/h10,15H,3-9H2,1-2H3.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4,4-trifluorobutan-1-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4,4-trifluorobutan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 113326353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).