[1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanamine

C8H15F3N2 — CID 43187045

IUPAC[1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1CC(F)(F)F
InChIInChI=1S/C8H15F3N2/c9-8(10,11)6-13-4-2-1-3-7(13)5-12/h7H,1-6,12H2
InChIKeyUJDJONYZCUBPRC-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.36
Rot. Bonds2

About [1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanamine

[1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanamine (PubChem CID 43187045) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanamine
PubChem CID43187045
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name[1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1CC(F)(F)F
InChIInChI=1S/C8H15F3N2/c9-8(10,11)6-13-4-2-1-3-7(13)5-12/h7H,1-6,12H2
InChIKeyUJDJONYZCUBPRC-UHFFFAOYSA-N
XLogP1.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine
CID 64566095
[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine;hydrochloride
CID 119916056
[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine
CID 61490445
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62579878
2-[2-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492406
[1-(2-cyclopropylethyl)azepan-2-yl]methanamine
CID 116640428
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-2-ol
CID 82503310
[(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine
CID 97052114
[1-(3-chloroprop-2-enyl)piperidin-2-yl]methanamine
CID 76919196
2-(3-bromopropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 80690357
[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine
CID 61493948
[1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanamine
CID 81493135

Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanamine?
The IUPAC name of [1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanamine (CID 43187045) is [1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanamine?
The canonical SMILES for [1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanamine is NCC1CCCCN1CC(F)(F)F.
What is the InChIKey of [1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanamine?
The InChIKey is UJDJONYZCUBPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c9-8(10,11)6-13-4-2-1-3-7(13)5-12/h7H,1-6,12H2.
What are the key properties of [1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanamine?
[1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanamine has a molecular weight of 196.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 43187045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).