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

C12H21F3N2 — CID 103070856

IUPACN-ethyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
SMILESC=C(CNCC)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2/c1-3-16-7-10(2)8-17-6-4-5-11(9-17)12(13,14)15/h11,16H,2-9H2,1H3
InChIKeyRMJYSAGLKGCVAG-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.43
Rot. Bonds5

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

N-ethyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine (PubChem CID 103070856) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-ethyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
PubChem CID103070856
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC NameN-ethyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
SMILESC=C(CNCC)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2/c1-3-16-7-10(2)8-17-6-4-5-11(9-17)12(13,14)15/h11,16H,2-9H2,1H3
InChIKeyRMJYSAGLKGCVAG-UHFFFAOYSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755088
N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
CID 55087476
N-(2-methylpropyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
CID 55087477
N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 55087478
N-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
CID 55087526
2,2,2-trifluoro-N-methyl-N-(piperidin-3-ylmethyl)ethanamine
CID 60891572
1-[1-(2,2-difluoroethyl)piperidin-3-yl]-N-methylmethanamine
CID 61204061
N-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine
CID 61205687
N-ethyl-2,2,2-trifluoro-N-(piperidin-3-ylmethyl)ethanamine
CID 61606762
N-(piperidin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 61606926
2,2-difluoro-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 61823358
2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 61824340

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine (CID 103070856) is N-ethyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine is C=C(CNCC)CN1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-ethyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine?
The InChIKey is RMJYSAGLKGCVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-3-16-7-10(2)8-17-6-4-5-11(9-17)12(13,14)15/h11,16H,2-9H2,1H3.
What are the key properties of N-ethyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine?
N-ethyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine has a molecular weight of 250.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 103070856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).