N-methyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine

C11H19F3N2 — CID 103070854

IUPACN-methyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
SMILESC=C(CNC)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2/c1-9(6-15-2)7-16-5-3-4-10(8-16)11(12,13)14/h10,15H,1,3-8H2,2H3
InChIKeyMGGBBHFDYVQYQM-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.04
Rot. Bonds4

About N-methyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine

N-methyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine (PubChem CID 103070854) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-methyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
PubChem CID103070854
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC NameN-methyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
SMILESC=C(CNC)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2/c1-9(6-15-2)7-16-5-3-4-10(8-16)11(12,13)14/h10,15H,1,3-8H2,2H3
InChIKeyMGGBBHFDYVQYQM-UHFFFAOYSA-N
XLogP2.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-methyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine (CID 103070854) is N-methyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine is C=C(CNC)CN1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-methyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine?
The InChIKey is MGGBBHFDYVQYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-9(6-15-2)7-16-5-3-4-10(8-16)11(12,13)14/h10,15H,1,3-8H2,2H3.
What are the key properties of N-methyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine?
N-methyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine has a molecular weight of 236.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 103070854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).