N-[[1-(trifluoromethyl)piperidin-4-yl]methyl]ethanamine

C9H17F3N2 — CID 71635401

IUPACN-[[1-(trifluoromethyl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(C(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2/c1-2-13-7-8-3-5-14(6-4-8)9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyITIRHADZWDWONP-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.83
Rot. Bonds3

About N-[[1-(trifluoromethyl)piperidin-4-yl]methyl]ethanamine

N-[[1-(trifluoromethyl)piperidin-4-yl]methyl]ethanamine (PubChem CID 71635401) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-[[1-(trifluoromethyl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(trifluoromethyl)piperidin-4-yl]methyl]ethanamine
PubChem CID71635401
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC NameN-[[1-(trifluoromethyl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(C(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2/c1-2-13-7-8-3-5-14(6-4-8)9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyITIRHADZWDWONP-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-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine
CID 62593089
1-[4-(ethylaminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103310424
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60855134
N-[[1-(1-cyclopenta-1,3,4-trien-1-yl-1,1-difluoro-2-methylpropan-2-yl)piperidin-4-yl]methyl]ethanamine
CID 142459399
N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]ethanamine
CID 63227216
2-[4-(ethylaminomethyl)piperidin-1-yl]ethanol
CID 63588121
N-[(4-fluorocyclohexyl)methyl]ethanamine
CID 143499030
N-(cyclobutylmethyl)ethanamine;ethane
CID 171530006
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 119647074
N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990361
N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]ethanamine
CID 63848559

Frequently Asked Questions

What is the IUPAC name of N-[[1-(trifluoromethyl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(trifluoromethyl)piperidin-4-yl]methyl]ethanamine (CID 71635401) is N-[[1-(trifluoromethyl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(trifluoromethyl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(trifluoromethyl)piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(C(F)(F)F)CC1.
What is the InChIKey of N-[[1-(trifluoromethyl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is ITIRHADZWDWONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-2-13-7-8-3-5-14(6-4-8)9(10,11)12/h8,13H,2-7H2,1H3.
What are the key properties of N-[[1-(trifluoromethyl)piperidin-4-yl]methyl]ethanamine?
N-[[1-(trifluoromethyl)piperidin-4-yl]methyl]ethanamine 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-(trifluoromethyl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 71635401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).