N-benzyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine

C15H22F3N3 — CID 62575078

IUPACN-benzyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
SMILESFC(F)(F)CN1CCN(CCNCc2ccccc2)CC1
InChIInChI=1S/C15H22F3N3/c16-15(17,18)13-21-10-8-20(9-11-21)7-6-19-12-14-4-2-1-3-5-14/h1-5,19H,6-13H2
InChIKeyIYWWHMBHTUGXRZ-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.96
Rot. Bonds6

About N-benzyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine

N-benzyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine (PubChem CID 62575078) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-benzyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
PubChem CID62575078
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC NameN-benzyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
SMILESFC(F)(F)CN1CCN(CCNCc2ccccc2)CC1
InChIInChI=1S/C15H22F3N3/c16-15(17,18)13-21-10-8-20(9-11-21)7-6-19-12-14-4-2-1-3-5-14/h1-5,19H,6-13H2
InChIKeyIYWWHMBHTUGXRZ-UHFFFAOYSA-N
XLogP1.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.96
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-benzyl-2-piperazin-1-ylethanamine
CID 14900561
N-[(3-methylthiophen-2-yl)methyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 62575243
N-benzyl-2-(1,4-diazepan-1-yl)ethanamine
CID 62833127
1-(2-phenylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 112731207
2-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]propan-1-amine
CID 62575111
4-[(2-pyrrolidin-1-ylethylamino)methyl]benzoic acid
CID 55097521
N-benzyl-6-piperidin-1-ylhexan-1-amine
CID 54404338
N-benzyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63209215
4-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]aniline
CID 62966638
1-phenyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-one
CID 62967368
N-benzyl-2-(2-pyrrolidin-1-ylethoxy)ethanamine
CID 82353074
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The IUPAC name of N-benzyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine (CID 62575078) is N-benzyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for N-benzyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The canonical SMILES for N-benzyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine is FC(F)(F)CN1CCN(CCNCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The InChIKey is IYWWHMBHTUGXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c16-15(17,18)13-21-10-8-20(9-11-21)7-6-19-12-14-4-2-1-3-5-14/h1-5,19H,6-13H2.
What are the key properties of N-benzyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
N-benzyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine has a molecular weight of 301.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 62575078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).