N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanamine

C10H19F3N2 — CID 83982976

IUPACN-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCCN1CCCC(CNCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2/c1-2-15-5-3-4-9(7-15)6-14-8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyVHJUDWXVCOZJKM-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.87
Rot. Bonds4

About N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanamine

N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 83982976) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID83982976
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC NameN-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCCN1CCCC(CNCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2/c1-2-15-5-3-4-9(7-15)6-14-8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyVHJUDWXVCOZJKM-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanamine
CID 71635317
N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide
CID 71194517
3-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pentan-3-ol
CID 114492830
2-cyclopentyl-N-[(1-ethylpiperidin-3-yl)methyl]acetamide
CID 75418465
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
N-[(1-ethylpiperidin-3-yl)methyl]cyclopentanamine;hydrochloride
CID 115597495
2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine
CID 83983099
1-(1-ethylpiperidin-3-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 115597499
2-[[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-3-yl]methylamino]acetic acid
CID 106814097
2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63241706
2,2-difluoro-3-[(1-methylpiperidin-3-yl)methylamino]propan-1-ol
CID 106172829
[(3R)-1-ethylpiperidin-3-yl]methanamine
CID 7200431

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanamine (CID 83982976) is N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanamine is CCN1CCCC(CNCC(F)(F)F)C1.
What is the InChIKey of N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is VHJUDWXVCOZJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-2-15-5-3-4-9(7-15)6-14-8-10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 224.27 g/mol, XLogP of 1.87, 4 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]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 83982976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).