N-methyl-1-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-3-yl]methanamine

C13H19F3N2S — CID 120835729

IUPACN-methyl-1-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-3-yl]methanamine
SMILESCNCC1CCCN(Cc2ccc(C(F)(F)F)s2)C1
InChIInChI=1S/C13H19F3N2S/c1-17-7-10-3-2-6-18(8-10)9-11-4-5-12(19-11)13(14,15)16/h4-5,10,17H,2-3,6-9H2,1H3
InChIKeyTVVFIHMVWFNHPP-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.20
Rot. Bonds4

About N-methyl-1-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-3-yl]methanamine

N-methyl-1-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-3-yl]methanamine (PubChem CID 120835729) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is N-methyl-1-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-3-yl]methanamine
PubChem CID120835729
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC NameN-methyl-1-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-3-yl]methanamine
SMILESCNCC1CCCN(Cc2ccc(C(F)(F)F)s2)C1
InChIInChI=1S/C13H19F3N2S/c1-17-7-10-3-2-6-18(8-10)9-11-4-5-12(19-11)13(14,15)16/h4-5,10,17H,2-3,6-9H2,1H3
InChIKeyTVVFIHMVWFNHPP-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-3-yl]methanamine (CID 120835729) is N-methyl-1-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-3-yl]methanamine is CNCC1CCCN(Cc2ccc(C(F)(F)F)s2)C1.
What is the InChIKey of N-methyl-1-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-3-yl]methanamine?
The InChIKey is TVVFIHMVWFNHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-17-7-10-3-2-6-18(8-10)9-11-4-5-12(19-11)13(14,15)16/h4-5,10,17H,2-3,6-9H2,1H3.
What are the key properties of N-methyl-1-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-3-yl]methanamine?
N-methyl-1-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-3-yl]methanamine has a molecular weight of 292.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 120835729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).