N-[(1-ethylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanamine

C9H17F3N2 — CID 71635317

IUPACN-[(1-ethylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanamine
SMILESCCN1CCCC(CNC(F)(F)F)C1
InChIInChI=1S/C9H17F3N2/c1-2-14-5-3-4-8(7-14)6-13-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyRWQVWLRGFHOXIB-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.83
Rot. Bonds3

About N-[(1-ethylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanamine

N-[(1-ethylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanamine (PubChem CID 71635317) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanamine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanamine
PubChem CID71635317
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC NameN-[(1-ethylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanamine
SMILESCCN1CCCC(CNC(F)(F)F)C1
InChIInChI=1S/C9H17F3N2/c1-2-14-5-3-4-8(7-14)6-13-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyRWQVWLRGFHOXIB-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
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

N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 83982976
N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide
CID 71194517
N-[(1-ethylpiperidin-3-yl)methyl]cyclopentanamine;hydrochloride
CID 115597495
[(3R)-1-ethylpiperidin-3-yl]methanamine
CID 7200431
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
2-cyclopentyl-N-[(1-ethylpiperidin-3-yl)methyl]acetamide
CID 75418465
N-[(1-ethylpiperidin-3-yl)methyl]hexan-2-amine
CID 115714713
N-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62593600
N-[(1-ethylpiperidin-2-yl)methyl]-1,1,1-trifluoromethanamine
CID 71635319
N-[[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 63848659
2-(1-ethylpiperidin-3-yl)acetonitrile
CID 83914081
3-(ethoxymethyl)-1-ethylpiperidine
CID 91434061

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanamine?
The IUPAC name of N-[(1-ethylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanamine (CID 71635317) is N-[(1-ethylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanamine.
What is the SMILES notation for N-[(1-ethylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanamine?
The canonical SMILES for N-[(1-ethylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanamine is CCN1CCCC(CNC(F)(F)F)C1.
What is the InChIKey of N-[(1-ethylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanamine?
The InChIKey is RWQVWLRGFHOXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-2-14-5-3-4-8(7-14)6-13-9(10,11)12/h8,13H,2-7H2,1H3.
What are the key properties of N-[(1-ethylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanamine?
N-[(1-ethylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanamine has a molecular weight of 210.24 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanamine is sourced from PubChem (CID 71635317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).