N-[(E)-but-2-en-2-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C11H19F3N2 — CID 144655062

IUPACN-[(E)-but-2-en-2-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESC/C=C(\C)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2/c1-3-9(2)15-10-4-6-16(7-5-10)8-11(12,13)14/h3,10,15H,4-8H2,1-2H3/b9-3+
InChIKeyAWWMFPWIROYUQX-YCRREMRBSA-N
MW236.28 g/mol
LogP2.53
Rot. Bonds3

About N-[(E)-but-2-en-2-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[(E)-but-2-en-2-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 144655062) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-[(E)-but-2-en-2-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(E)-but-2-en-2-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID144655062
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC NameN-[(E)-but-2-en-2-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESC/C=C(\C)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2/c1-3-9(2)15-10-4-6-16(7-5-10)8-11(12,13)14/h3,10,15H,4-8H2,1-2H3/b9-3+
InChIKeyAWWMFPWIROYUQX-YCRREMRBSA-N
XLogP2.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-en-2-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[(E)-but-2-en-2-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 144655062) is N-[(E)-but-2-en-2-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[(E)-but-2-en-2-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[(E)-but-2-en-2-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is C/C=C(\C)NC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-[(E)-but-2-en-2-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is AWWMFPWIROYUQX-YCRREMRBSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-3-9(2)15-10-4-6-16(7-5-10)8-11(12,13)14/h3,10,15H,4-8H2,1-2H3/b9-3+.
What are the key properties of N-[(E)-but-2-en-2-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[(E)-but-2-en-2-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 236.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-en-2-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 144655062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).