[3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine

C13H25F3N2O — CID 82736146

IUPAC[3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine
SMILESCCC1CCCN(CCCOCC(F)(F)F)C1CN
InChIInChI=1S/C13H25F3N2O/c1-2-11-5-3-6-18(12(11)9-17)7-4-8-19-10-13(14,15)16/h11-12H,2-10,17H2,1H3
InChIKeyLGAVOOAXXYFJKO-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.40
Rot. Bonds7

About [3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine

[3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine (PubChem CID 82736146) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is [3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine
PubChem CID82736146
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name[3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine
SMILESCCC1CCCN(CCCOCC(F)(F)F)C1CN
InChIInChI=1S/C13H25F3N2O/c1-2-11-5-3-6-18(12(11)9-17)7-4-8-19-10-13(14,15)16/h11-12H,2-10,17H2,1H3
InChIKeyLGAVOOAXXYFJKO-UHFFFAOYSA-N
XLogP2.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-decyl-3-ethylpiperidin-2-yl)methanamine
CID 82736476
[3-ethyl-1-(4-methylpentyl)piperidin-2-yl]methanamine
CID 83157442
[3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-2-yl]methanamine
CID 107912600
4-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-methylbutanamide
CID 82736832
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 82736709
[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine
CID 61490445
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine
CID 62581283
[4-methoxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine
CID 112622698
[(2R,3R)-2-ethyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine
CID 82391830
2-pyrrolidin-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine
CID 62272890
1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]propan-2-one
CID 79537541
1-[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 124677486

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine?
The IUPAC name of [3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine (CID 82736146) is [3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine?
The canonical SMILES for [3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine is CCC1CCCN(CCCOCC(F)(F)F)C1CN.
What is the InChIKey of [3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine?
The InChIKey is LGAVOOAXXYFJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-2-11-5-3-6-18(12(11)9-17)7-4-8-19-10-13(14,15)16/h11-12H,2-10,17H2,1H3.
What are the key properties of [3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine?
[3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine has a molecular weight of 282.35 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 82736146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).