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

C14H21F3N2S — CID 80728999

IUPACN-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
SMILESCNCc1cc(CN2CCC(C(F)(F)F)CC2)c(C)s1
InChIInChI=1S/C14H21F3N2S/c1-10-11(7-13(20-10)8-18-2)9-19-5-3-12(4-6-19)14(15,16)17/h7,12,18H,3-6,8-9H2,1-2H3
InChIKeyZHMLYVHUCZADAO-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.55
Rot. Bonds4

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

N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine (PubChem CID 80728999) has the molecular formula C14H21F3N2S and a molecular weight of 306.40 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
PubChem CID80728999
Molecular FormulaC14H21F3N2S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC NameN-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
SMILESCNCc1cc(CN2CCC(C(F)(F)F)CC2)c(C)s1
InChIInChI=1S/C14H21F3N2S/c1-10-11(7-13(20-10)8-18-2)9-19-5-3-12(4-6-19)14(15,16)17/h7,12,18H,3-6,8-9H2,1-2H3
InChIKeyZHMLYVHUCZADAO-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.55
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-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine (CID 80728999) is N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine is CNCc1cc(CN2CCC(C(F)(F)F)CC2)c(C)s1.
What is the InChIKey of N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine?
The InChIKey is ZHMLYVHUCZADAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2S/c1-10-11(7-13(20-10)8-18-2)9-19-5-3-12(4-6-19)14(15,16)17/h7,12,18H,3-6,8-9H2,1-2H3.
What are the key properties of N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine?
N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine has a molecular weight of 306.40 g/mol, XLogP of 3.55, 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-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 80728999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).