3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C9H17F3N2 — CID 120776462

IUPAC3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC1(C)CN(CC(F)(F)F)CCC1N
InChIInChI=1S/C9H17F3N2/c1-8(2)5-14(4-3-7(8)13)6-9(10,11)12/h7H,3-6,13H2,1-2H3
InChIKeyHTVIESAOEBPJPS-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.61
Rot. Bonds1

About 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine

3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 120776462) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID120776462
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC1(C)CN(CC(F)(F)F)CCC1N
InChIInChI=1S/C9H17F3N2/c1-8(2)5-14(4-3-7(8)13)6-9(10,11)12/h7H,3-6,13H2,1-2H3
InChIKeyHTVIESAOEBPJPS-UHFFFAOYSA-N
XLogP1.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120847158
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 120774605
3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one;hydrochloride
CID 120775548
1-(2-chloroprop-2-enyl)-3,3-dimethylpiperidin-4-amine
CID 130505353
3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine
CID 120847083
3,3-dimethyl-1-(oxan-4-ylmethyl)piperidin-4-amine
CID 120774849
3,3-dimethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120967341
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride
CID 120776491
1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 114267620
ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 142345486
(4R)-1-iodo-3,3-dimethylpiperidin-4-amine
CID 162525983
1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120775152

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 120776462) is 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CC1(C)CN(CC(F)(F)F)CCC1N.
What is the InChIKey of 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is HTVIESAOEBPJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-8(2)5-14(4-3-7(8)13)6-9(10,11)12/h7H,3-6,13H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 210.24 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 120776462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).