N-methyl-1-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine

C13H19F3N2S — CID 107557064

IUPACN-methyl-1-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
SMILESCNCc1ccc(CN2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C13H19F3N2S/c1-17-8-11-2-3-12(19-11)9-18-6-4-10(5-7-18)13(14,15)16/h2-3,10,17H,4-9H2,1H3
InChIKeyLRPKIPIWDPFLKC-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.24
Rot. Bonds4

About N-methyl-1-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine

N-methyl-1-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine (PubChem CID 107557064) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is N-methyl-1-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
PubChem CID107557064
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC NameN-methyl-1-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
SMILESCNCc1ccc(CN2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C13H19F3N2S/c1-17-8-11-2-3-12(19-11)9-18-6-4-10(5-7-18)13(14,15)16/h2-3,10,17H,4-9H2,1H3
InChIKeyLRPKIPIWDPFLKC-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine (CID 107557064) is N-methyl-1-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine is CNCc1ccc(CN2CCC(C(F)(F)F)CC2)s1.
What is the InChIKey of N-methyl-1-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine?
The InChIKey is LRPKIPIWDPFLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-17-8-11-2-3-12(19-11)9-18-6-4-10(5-7-18)13(14,15)16/h2-3,10,17H,4-9H2,1H3.
What are the key properties of N-methyl-1-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine?
N-methyl-1-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine has a molecular weight of 292.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 107557064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).