N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine

C13H20F3N3S — CID 107556696

IUPACN-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine
SMILESCNCc1ccc(CN2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C13H20F3N3S/c1-17-8-11-2-3-12(20-11)9-18-4-6-19(7-5-18)10-13(14,15)16/h2-3,17H,4-10H2,1H3
InChIKeyKKQXMGCDPBPQMO-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.15
Rot. Bonds5

About N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine

N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine (PubChem CID 107556696) has the molecular formula C13H20F3N3S and a molecular weight of 307.39 g/mol. Its IUPAC name is N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine
PubChem CID107556696
Molecular FormulaC13H20F3N3S
Molecular Weight307.39 g/mol
Exact Mass307.13
IUPAC NameN-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine
SMILESCNCc1ccc(CN2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C13H20F3N3S/c1-17-8-11-2-3-12(20-11)9-18-4-6-19(7-5-18)10-13(14,15)16/h2-3,17H,4-10H2,1H3
InChIKeyKKQXMGCDPBPQMO-UHFFFAOYSA-N
XLogP2.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine with MolForge

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Related Compounds

N-methyl-1-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
CID 107557064
N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62969152
1-[5-[(3,5-dimethylpiperidin-1-yl)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107555653
N-methyl-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methanamine
CID 107557811
N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107555665
N-methyl-1-[4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 62970042
N-[[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107557061
N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107555450
N-methyl-1-[5-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methanamine
CID 107556945
1-[2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-N-methylmethanamine
CID 62967711
N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555391
N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 107556124

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine (CID 107556696) is N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine is CNCc1ccc(CN2CCN(CC(F)(F)F)CC2)s1.
What is the InChIKey of N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine?
The InChIKey is KKQXMGCDPBPQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3S/c1-17-8-11-2-3-12(20-11)9-18-4-6-19(7-5-18)10-13(14,15)16/h2-3,17H,4-10H2,1H3.
What are the key properties of N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine?
N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine has a molecular weight of 307.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 107556696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).