N-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C11H16F3N3 — CID 79090210

IUPACN-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(Nn2cccc2)CC1
InChIInChI=1S/C11H16F3N3/c12-11(13,14)9-16-7-3-10(4-8-16)15-17-5-1-2-6-17/h1-2,5-6,10,15H,3-4,7-9H2
InChIKeyRJXQEIIMVKTTGR-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.06
Rot. Bonds3

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

N-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 79090210) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID79090210
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC NameN-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(Nn2cccc2)CC1
InChIInChI=1S/C11H16F3N3/c12-11(13,14)9-16-7-3-10(4-8-16)15-17-5-1-2-6-17/h1-2,5-6,10,15H,3-4,7-9H2
InChIKeyRJXQEIIMVKTTGR-UHFFFAOYSA-N
XLogP2.06
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 79090210) is N-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(Nn2cccc2)CC1.
What is the InChIKey of N-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is RJXQEIIMVKTTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c12-11(13,14)9-16-7-3-10(4-8-16)15-17-5-1-2-6-17/h1-2,5-6,10,15H,3-4,7-9H2.
What are the key properties of N-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 247.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 79090210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).