1-(2,2,2-trifluoroethyl)piperidin-3-amine

C7H13F3N2 — CID 24711865

IUPAC1-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESNC1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C7H13F3N2/c8-7(9,10)5-12-3-1-2-6(11)4-12/h6H,1-5,11H2
InChIKeyLFNPPORHPVBDHE-UHFFFAOYSA-N
MW182.19 g/mol
LogP0.97
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)piperidin-3-amine

1-(2,2,2-trifluoroethyl)piperidin-3-amine (PubChem CID 24711865) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)piperidin-3-amine
PubChem CID24711865
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name1-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESNC1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C7H13F3N2/c8-7(9,10)5-12-3-1-2-6(11)4-12/h6H,1-5,11H2
InChIKeyLFNPPORHPVBDHE-UHFFFAOYSA-N
XLogP0.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Trifluoromethyl)piperazine
CID 18519725
1-(2,2,2-Trifluoroethyl)piperidin-4-amine
CID 16228722
1-(2,2-Difluoroethyl)-4-piperidinamine
CID 25252389
1-Methylpiperidin-3-amine
CID 3860971
2-(4,4-Difluoropiperidin-1-yl)ethan-1-amine
CID 2758354
(1-(2,2,2-Trifluoroethyl)pyrrolidin-2-yl)methanamine
CID 13018946
2-(1,1-Difluoroethyl)piperazine
CID 19763581
6-(Trifluoromethyl)piperidin-3-amine
CID 42628739
1-(2,2,2-Trifluoroethyl)piperidin-4-amine dihydrochloride
CID 42937270
2-(2,2,2-Trifluoroethyl)piperazine
CID 54215917
3-(Difluoromethyl)-1-methylpiperazine
CID 58803022
2-Methyl-1-(2,2,2-trifluoroethyl)piperazine hydrochloride
CID 71757579

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)piperidin-3-amine?
The IUPAC name of 1-(2,2,2-trifluoroethyl)piperidin-3-amine (CID 24711865) is 1-(2,2,2-trifluoroethyl)piperidin-3-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)piperidin-3-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)piperidin-3-amine is NC1CCCN(CC(F)(F)F)C1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)piperidin-3-amine?
The InChIKey is LFNPPORHPVBDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2/c8-7(9,10)5-12-3-1-2-6(11)4-12/h6H,1-5,11H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)piperidin-3-amine?
1-(2,2,2-trifluoroethyl)piperidin-3-amine has a molecular weight of 182.19 g/mol, XLogP of 0.97, 1 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-3-amine is sourced from PubChem (CID 24711865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).