N-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine

C15H22F3N3 — CID 63267585

IUPACN-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCN(CCN1CCNCC1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3N3/c1-20(10-11-21-8-6-19-7-9-21)12-13-2-4-14(5-3-13)15(16,17)18/h2-5,19H,6-12H2,1H3
InChIKeyHCXRTHXUFQGZHQ-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.04
Rot. Bonds5

About N-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine

N-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 63267585) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID63267585
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC NameN-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCN(CCN1CCNCC1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3N3/c1-20(10-11-21-8-6-19-7-9-21)12-13-2-4-14(5-3-13)15(16,17)18/h2-5,19H,6-12H2,1H3
InChIKeyHCXRTHXUFQGZHQ-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 60850565
N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
CID 55137660
N-[(4-bromophenyl)methyl]-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 115230571
N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 115240401
N-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 83230304
2-bromo-N-methyl-N-(2-piperazin-1-ylethyl)-4-(trifluoromethyl)aniline
CID 115511896
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 42695374
N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63267446
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 43607110
N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 2173507
N-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 54945083
N-(2-piperazin-1-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119447265

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine (CID 63267585) is N-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine is CN(CCN1CCNCC1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is HCXRTHXUFQGZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-20(10-11-21-8-6-19-7-9-21)12-13-2-4-14(5-3-13)15(16,17)18/h2-5,19H,6-12H2,1H3.
What are the key properties of N-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
N-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 301.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 63267585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).