3-[3-(trifluoromethyl)piperidin-1-yl]cyclobutan-1-amine

C10H17F3N2 — CID 80561868

IUPAC3-[3-(trifluoromethyl)piperidin-1-yl]cyclobutan-1-amine
SMILESNC1CC(N2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C10H17F3N2/c11-10(12,13)7-2-1-3-15(6-7)9-4-8(14)5-9/h7-9H,1-6,14H2
InChIKeyDRMZLWPUFJYBSJ-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.75
Rot. Bonds1

About 3-[3-(trifluoromethyl)piperidin-1-yl]cyclobutan-1-amine

3-[3-(trifluoromethyl)piperidin-1-yl]cyclobutan-1-amine (PubChem CID 80561868) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)piperidin-1-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)piperidin-1-yl]cyclobutan-1-amine
PubChem CID80561868
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name3-[3-(trifluoromethyl)piperidin-1-yl]cyclobutan-1-amine
SMILESNC1CC(N2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C10H17F3N2/c11-10(12,13)7-2-1-3-15(6-7)9-4-8(14)5-9/h7-9H,1-6,14H2
InChIKeyDRMZLWPUFJYBSJ-UHFFFAOYSA-N
XLogP1.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Cyclobutylpiperidin-3-yl)ethan-1-amine
CID 64026417
3-(4-(Trifluoromethyl)piperidin-1-yl)cyclobutan-1-amine
CID 80561869
[1-(2,2,2-Trifluoroethyl)piperidin-3-yl]methanamine dihydrochloride
CID 119056959
(S)-2-isobutyl-1-(2,2,2-trifluoroethyl)piperazine
CID 58612005
1-(Piperidin-4-yl)-3-(trifluoromethyl)piperidine
CID 61684880
N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62592217
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62592920
1-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]ethanamine
CID 63597114
2-(2-Methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine
CID 64844275
5-(3-(Trifluoromethyl)piperidin-1-yl)pentan-1-amine
CID 65533053
3-(4-Trifluoromethyl-piperidin-1-yl)-propylamine
CID 65533252
4-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine
CID 67812709

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)piperidin-1-yl]cyclobutan-1-amine?
The IUPAC name of 3-[3-(trifluoromethyl)piperidin-1-yl]cyclobutan-1-amine (CID 80561868) is 3-[3-(trifluoromethyl)piperidin-1-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[3-(trifluoromethyl)piperidin-1-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[3-(trifluoromethyl)piperidin-1-yl]cyclobutan-1-amine is NC1CC(N2CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of 3-[3-(trifluoromethyl)piperidin-1-yl]cyclobutan-1-amine?
The InChIKey is DRMZLWPUFJYBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c11-10(12,13)7-2-1-3-15(6-7)9-4-8(14)5-9/h7-9H,1-6,14H2.
What are the key properties of 3-[3-(trifluoromethyl)piperidin-1-yl]cyclobutan-1-amine?
3-[3-(trifluoromethyl)piperidin-1-yl]cyclobutan-1-amine has a molecular weight of 222.25 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)piperidin-1-yl]cyclobutan-1-amine is sourced from PubChem (CID 80561868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).