N-[2-(4-ethylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine

C11H21F3N2 — CID 62557757

IUPACN-[2-(4-ethylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESCCC1CCN(CCNCC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2/c1-2-10-3-6-16(7-4-10)8-5-15-9-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyHZGCOXPHUVBKTQ-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.26
Rot. Bonds5

About N-[2-(4-ethylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine

N-[2-(4-ethylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 62557757) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N-[2-(4-ethylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-(4-ethylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
PubChem CID62557757
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC NameN-[2-(4-ethylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESCCC1CCN(CCNCC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2/c1-2-10-3-6-16(7-4-10)8-5-15-9-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyHZGCOXPHUVBKTQ-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-2,2,2-trifluoroethanamine
CID 62554395
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62559376
2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine
CID 83983099
N,N-diethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidin-3-amine
CID 63167916
2,2,2-trifluoro-N-[2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethyl]ethanamine
CID 83981091
2,2,2-trifluoro-N-[2-(3-methoxypiperidin-1-yl)ethyl]ethanamine
CID 102963685
N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine
CID 64565266
N'-[2-(3-ethylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine
CID 143093891
4-bromo-N-[2-(4-ethylpiperidin-1-yl)ethyl]aniline
CID 63501719
N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]propan-1-amine
CID 115514231
1-(2,2-difluorobutyl)-4-ethylpiperidine
CID 123670670
2,2,2-trifluoro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanamine
CID 83983142

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-(4-ethylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine (CID 62557757) is N-[2-(4-ethylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-(4-ethylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-(4-ethylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine is CCC1CCN(CCNCC(F)(F)F)CC1.
What is the InChIKey of N-[2-(4-ethylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is HZGCOXPHUVBKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-2-10-3-6-16(7-4-10)8-5-15-9-11(12,13)14/h10,15H,2-9H2,1H3.
What are the key properties of N-[2-(4-ethylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine?
N-[2-(4-ethylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 238.30 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 62557757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).