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

C9H17F3N2 — CID 115305132

IUPACN,4-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCNC1(C)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2/c1-8(13-2)3-5-14(6-4-8)7-9(10,11)12/h13H,3-7H2,1-2H3
InChIKeyPEJGBCVQBGEZTA-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.62
Rot. Bonds2

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

N,4-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 115305132) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N,4-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID115305132
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC NameN,4-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCNC1(C)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2/c1-8(13-2)3-5-14(6-4-8)7-9(10,11)12/h13H,3-7H2,1-2H3
InChIKeyPEJGBCVQBGEZTA-UHFFFAOYSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N,4-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 115305132) is N,4-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N,4-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N,4-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CNC1(C)CCN(CC(F)(F)F)CC1.
What is the InChIKey of N,4-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is PEJGBCVQBGEZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-8(13-2)3-5-14(6-4-8)7-9(10,11)12/h13H,3-7H2,1-2H3.
What are the key properties of N,4-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N,4-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 210.24 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 115305132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).