[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine

C8H15F3N2 — CID 18425514

IUPAC[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2/c9-8(10,11)6-13-3-1-7(5-12)2-4-13/h7H,1-6,12H2
InChIKeyBLNSEFCVKGFFBT-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.22
Rot. Bonds2

About [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine

[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine (PubChem CID 18425514) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine
PubChem CID18425514
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2/c9-8(10,11)6-13-3-1-7(5-12)2-4-13/h7H,1-6,12H2
InChIKeyBLNSEFCVKGFFBT-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine (CID 18425514) is [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine is NCC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine?
The InChIKey is BLNSEFCVKGFFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c9-8(10,11)6-13-3-1-7(5-12)2-4-13/h7H,1-6,12H2.
What are the key properties of [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine?
[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine has a molecular weight of 196.22 g/mol, XLogP of 1.22, 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-4-yl]methanamine is sourced from PubChem (CID 18425514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).