N-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methyl]ethanamine

C14H21F3N4 — CID 62968957

IUPACN-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(N2CCN(CC(F)(F)F)CC2)ccn1
InChIInChI=1S/C14H21F3N4/c1-2-18-10-12-9-13(3-4-19-12)21-7-5-20(6-8-21)11-14(15,16)17/h3-4,9,18H,2,5-8,10-11H2,1H3
InChIKeyOANHRODHZFWKNR-UHFFFAOYSA-N
MW302.34 g/mol
LogP1.88
Rot. Bonds5

About N-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methyl]ethanamine

N-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methyl]ethanamine (PubChem CID 62968957) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methyl]ethanamine
PubChem CID62968957
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC NameN-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(N2CCN(CC(F)(F)F)CC2)ccn1
InChIInChI=1S/C14H21F3N4/c1-2-18-10-12-9-13(3-4-19-12)21-7-5-20(6-8-21)11-14(15,16)17/h3-4,9,18H,2,5-8,10-11H2,1H3
InChIKeyOANHRODHZFWKNR-UHFFFAOYSA-N
XLogP1.88
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methyl]ethanamine (CID 62968957) is N-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methyl]ethanamine is CCNCc1cc(N2CCN(CC(F)(F)F)CC2)ccn1.
What is the InChIKey of N-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methyl]ethanamine?
The InChIKey is OANHRODHZFWKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-2-18-10-12-9-13(3-4-19-12)21-7-5-20(6-8-21)11-14(15,16)17/h3-4,9,18H,2,5-8,10-11H2,1H3.
What are the key properties of N-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methyl]ethanamine?
N-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methyl]ethanamine has a molecular weight of 302.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62968957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).