N,N-dimethyl-1-[2-(piperazin-1-ylmethyl)-4-(trifluoromethyl)phenyl]methanamine

C15H22F3N3 — CID 142156536

IUPACN,N-dimethyl-1-[2-(piperazin-1-ylmethyl)-4-(trifluoromethyl)phenyl]methanamine
SMILESCN(C)Cc1ccc(C(F)(F)F)cc1CN1CCNCC1
InChIInChI=1S/C15H22F3N3/c1-20(2)10-12-3-4-14(15(16,17)18)9-13(12)11-21-7-5-19-6-8-21/h3-4,9,19H,5-8,10-11H2,1-2H3
InChIKeyFNWQAZLTCQRYHO-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.17
Rot. Bonds4

About N,N-dimethyl-1-[2-(piperazin-1-ylmethyl)-4-(trifluoromethyl)phenyl]methanamine

N,N-dimethyl-1-[2-(piperazin-1-ylmethyl)-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 142156536) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(piperazin-1-ylmethyl)-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(piperazin-1-ylmethyl)-4-(trifluoromethyl)phenyl]methanamine
PubChem CID142156536
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC NameN,N-dimethyl-1-[2-(piperazin-1-ylmethyl)-4-(trifluoromethyl)phenyl]methanamine
SMILESCN(C)Cc1ccc(C(F)(F)F)cc1CN1CCNCC1
InChIInChI=1S/C15H22F3N3/c1-20(2)10-12-3-4-14(15(16,17)18)9-13(12)11-21-7-5-19-6-8-21/h3-4,9,19H,5-8,10-11H2,1-2H3
InChIKeyFNWQAZLTCQRYHO-UHFFFAOYSA-N
XLogP2.17
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-1-[2-(piperazin-1-ylmethyl)-4-(trifluoromethyl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 120834258
1-methyl-3-(piperazin-1-ylmethyl)-6-(trifluoromethyl)indole
CID 117196130
1-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]piperazine
CID 117389294
5-[2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenoxy]pyrimidine
CID 135331999
1-[[5-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]piperazine
CID 117429097
1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726
N-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 63267585
2-bromo-N-methyl-N-(2-piperazin-1-ylethyl)-4-(trifluoromethyl)aniline
CID 115511896
1-[2-fluoro-4-(2-piperazin-1-ylethyl)phenyl]-N,N-dimethylmethanamine
CID 117418093
tert-butyl 4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine
CID 158931269
1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 134413230
3-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 120842020

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(piperazin-1-ylmethyl)-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-(piperazin-1-ylmethyl)-4-(trifluoromethyl)phenyl]methanamine (CID 142156536) is N,N-dimethyl-1-[2-(piperazin-1-ylmethyl)-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-(piperazin-1-ylmethyl)-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-(piperazin-1-ylmethyl)-4-(trifluoromethyl)phenyl]methanamine is CN(C)Cc1ccc(C(F)(F)F)cc1CN1CCNCC1.
What is the InChIKey of N,N-dimethyl-1-[2-(piperazin-1-ylmethyl)-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is FNWQAZLTCQRYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-20(2)10-12-3-4-14(15(16,17)18)9-13(12)11-21-7-5-19-6-8-21/h3-4,9,19H,5-8,10-11H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[2-(piperazin-1-ylmethyl)-4-(trifluoromethyl)phenyl]methanamine?
N,N-dimethyl-1-[2-(piperazin-1-ylmethyl)-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 301.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(piperazin-1-ylmethyl)-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 142156536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).