N-[2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine

C13H22F3N3 — CID 103070427

IUPACN-[2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H22F3N3/c1-11(8-17-12-2-3-12)9-18-4-6-19(7-5-18)10-13(14,15)16/h12,17H,1-10H2
InChIKeyQMXVOFXDOHNBBI-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.47
Rot. Bonds6

About N-[2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine

N-[2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine (PubChem CID 103070427) has the molecular formula C13H22F3N3 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine
PubChem CID103070427
Molecular FormulaC13H22F3N3
Molecular Weight277.33 g/mol
Exact Mass277.18
IUPAC NameN-[2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H22F3N3/c1-11(8-17-12-2-3-12)9-18-4-6-19(7-5-18)10-13(14,15)16/h12,17H,1-10H2
InChIKeyQMXVOFXDOHNBBI-UHFFFAOYSA-N
XLogP1.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine
CID 103070424
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidine-3,4-diol
CID 106673564
N-[2-[(4-benzylpiperazin-1-yl)methyl]prop-2-enyl]cyclopropanamine
CID 103069010
N-[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine
CID 103068745
2-[1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-yl]oxyethanol
CID 103071117
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-3-methylpiperidin-4-ol
CID 103071389
1-piperidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanone
CID 115709475
N-prop-2-enyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755423
3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 66004496
4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine
CID 62319981
N-ethyl-N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetamide
CID 104926671
N-[2-[(3-ethoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine
CID 103069929

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine (CID 103070427) is N-[2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-[2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine?
The InChIKey is QMXVOFXDOHNBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3/c1-11(8-17-12-2-3-12)9-18-4-6-19(7-5-18)10-13(14,15)16/h12,17H,1-10H2.
What are the key properties of N-[2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine?
N-[2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine has a molecular weight of 277.33 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103070427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).