N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C16H27F3N2 — CID 43761068

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(NC1CCN(CC(F)(F)F)CC1)C1CC2CCC1C2
InChIInChI=1S/C16H27F3N2/c1-11(15-9-12-2-3-13(15)8-12)20-14-4-6-21(7-5-14)10-16(17,18)19/h11-15,20H,2-10H2,1H3
InChIKeyMDGXHGLOPSAPLH-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.43
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 43761068) has the molecular formula C16H27F3N2 and a molecular weight of 304.40 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID43761068
Molecular FormulaC16H27F3N2
Molecular Weight304.40 g/mol
Exact Mass304.21
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(NC1CCN(CC(F)(F)F)CC1)C1CC2CCC1C2
InChIInChI=1S/C16H27F3N2/c1-11(15-9-12-2-3-13(15)8-12)20-14-4-6-21(7-5-14)10-16(17,18)19/h11-15,20H,2-10H2,1H3
InChIKeyMDGXHGLOPSAPLH-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 43761068) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CC(NC1CCN(CC(F)(F)F)CC1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is MDGXHGLOPSAPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2/c1-11(15-9-12-2-3-13(15)8-12)20-14-4-6-21(7-5-14)10-16(17,18)19/h11-15,20H,2-10H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 304.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 43761068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).