N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine

C10H19F3N2 — CID 62593089

IUPACN-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2/c1-2-14-7-9-3-5-15(6-4-9)8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyWXXRTIFRJMYZIU-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.87
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine

N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine (PubChem CID 62593089) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine
PubChem CID62593089
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2/c1-2-14-7-9-3-5-15(6-4-9)8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyWXXRTIFRJMYZIU-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-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60855134
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592050
1-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine
CID 60856164
methyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
CID 122164232
N-[[1-(trifluoromethyl)piperidin-4-yl]methyl]ethanamine
CID 71635401
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 60855135
N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]ethanamine
CID 63227216
2-[4-(ethylaminomethyl)piperidin-1-yl]ethanol
CID 63588121
(2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]propanoic acid
CID 165389159
2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine
CID 83983099
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol
CID 63847704
methyl 2-amino-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
CID 166176346

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine (CID 62593089) is N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is WXXRTIFRJMYZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-2-14-7-9-3-5-15(6-4-9)8-10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine?
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine 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-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 62593089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).