N-[(1-ethylpiperidin-2-yl)methyl]-1,1,1-trifluoromethanamine

C9H17F3N2 — CID 71635319

IUPACN-[(1-ethylpiperidin-2-yl)methyl]-1,1,1-trifluoromethanamine
SMILESCCN1CCCCC1CNC(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-2-14-6-4-3-5-8(14)7-13-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyQSNWKTHNSGDHMK-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.97
Rot. Bonds3

About N-[(1-ethylpiperidin-2-yl)methyl]-1,1,1-trifluoromethanamine

N-[(1-ethylpiperidin-2-yl)methyl]-1,1,1-trifluoromethanamine (PubChem CID 71635319) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-2-yl)methyl]-1,1,1-trifluoromethanamine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-2-yl)methyl]-1,1,1-trifluoromethanamine
PubChem CID71635319
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC NameN-[(1-ethylpiperidin-2-yl)methyl]-1,1,1-trifluoromethanamine
SMILESCCN1CCCCC1CNC(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-2-14-6-4-3-5-8(14)7-13-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyQSNWKTHNSGDHMK-UHFFFAOYSA-N
XLogP1.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,2-diethylpiperidine
CID 19604037
(1-ethylazepan-2-yl)methanol
CID 2849413
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
N-[[1-(ethoxymethyl)piperidin-2-yl]methyl]-2-methylpropan-2-amine
CID 65366916
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758375
2-methyl-N-[[1-(2-methylbutyl)piperidin-2-yl]methyl]propan-2-amine
CID 62580952
1-ethyl-2-(2-methylpropyl)piperidine
CID 58904573
(3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpentan-3-amine
CID 93283182
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutan-2-amine
CID 115706755
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxan-4-amine
CID 93218125
N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine
CID 43195916
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54962176

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-2-yl)methyl]-1,1,1-trifluoromethanamine?
The IUPAC name of N-[(1-ethylpiperidin-2-yl)methyl]-1,1,1-trifluoromethanamine (CID 71635319) is N-[(1-ethylpiperidin-2-yl)methyl]-1,1,1-trifluoromethanamine.
What is the SMILES notation for N-[(1-ethylpiperidin-2-yl)methyl]-1,1,1-trifluoromethanamine?
The canonical SMILES for N-[(1-ethylpiperidin-2-yl)methyl]-1,1,1-trifluoromethanamine is CCN1CCCCC1CNC(F)(F)F.
What is the InChIKey of N-[(1-ethylpiperidin-2-yl)methyl]-1,1,1-trifluoromethanamine?
The InChIKey is QSNWKTHNSGDHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-2-14-6-4-3-5-8(14)7-13-9(10,11)12/h8,13H,2-7H2,1H3.
What are the key properties of N-[(1-ethylpiperidin-2-yl)methyl]-1,1,1-trifluoromethanamine?
N-[(1-ethylpiperidin-2-yl)methyl]-1,1,1-trifluoromethanamine has a molecular weight of 210.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-2-yl)methyl]-1,1,1-trifluoromethanamine is sourced from PubChem (CID 71635319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).