N-prop-2-enyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine

C12H22F3N3 — CID 62556969

IUPACN-prop-2-enyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
SMILESC=CCNCC(C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3/c1-3-4-16-9-11(2)18-7-5-17(6-8-18)10-12(13,14)15/h3,11,16H,1,4-10H2,2H3
InChIKeyFUYCMBRQDODAEK-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.33
Rot. Bonds6

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

N-prop-2-enyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine (PubChem CID 62556969) has the molecular formula C12H22F3N3 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-prop-2-enyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-prop-2-enyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
PubChem CID62556969
Molecular FormulaC12H22F3N3
Molecular Weight265.32 g/mol
Exact Mass265.18
IUPAC NameN-prop-2-enyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
SMILESC=CCNCC(C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3/c1-3-4-16-9-11(2)18-7-5-17(6-8-18)10-12(13,14)15/h3,11,16H,1,4-10H2,2H3
InChIKeyFUYCMBRQDODAEK-UHFFFAOYSA-N
XLogP1.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Allyl-2,5-dimethylpiperazine
CID 4135660
(-)-(2R,5S)-1-allyl-2,5-dimethylpiperazine
CID 10534891
(2S,5R)-1-allyl-2,5-dimethylpiperazine
CID 11291191
(+/-)-trans-1-Allyl-2,5-dimethylpiperazine
CID 89312366
N-allyl-3-methylpiperazine
CID 23447962
(3S)-1-[(2Z,4Z)-3-fluoro-2-methylhepta-2,4,6-trienyl]-3-methylpiperazine
CID 142262364
1-Prop-1-en-2-yl-2-(trifluoromethyl)piperazine
CID 164060317
2-(Difluoromethyl)-1-ethyl-4-prop-2-enylpiperazine
CID 166698660
5-fluoro-1-(2-fluorobut-3-enyl)-N-propan-2-ylpiperidin-3-amine
CID 169661365
1-Methyl-4-prop-2-enyl-2-(trifluoromethyl)piperazine
CID 174261165
N-prop-2-enyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755423
N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]prop-2-en-1-amine
CID 55085259

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of N-prop-2-enyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine (CID 62556969) is N-prop-2-enyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for N-prop-2-enyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for N-prop-2-enyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine is C=CCNCC(C)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-prop-2-enyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The InChIKey is FUYCMBRQDODAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3/c1-3-4-16-9-11(2)18-7-5-17(6-8-18)10-12(13,14)15/h3,11,16H,1,4-10H2,2H3.
What are the key properties of N-prop-2-enyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
N-prop-2-enyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine has a molecular weight of 265.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 62556969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).