4-(4-tert-butylpiperazin-1-yl)-6-(trifluoromethyl)pyridin-3-amine

C14H21F3N4 — CID 106747410

IUPAC4-(4-tert-butylpiperazin-1-yl)-6-(trifluoromethyl)pyridin-3-amine
SMILESCC(C)(C)N1CCN(c2cc(C(F)(F)F)ncc2N)CC1
InChIInChI=1S/C14H21F3N4/c1-13(2,3)21-6-4-20(5-7-21)11-8-12(14(15,16)17)19-9-10(11)18/h8-9H,4-7,18H2,1-3H3
InChIKeyAPTXLKLYTVVBAX-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.60
Rot. Bonds1

About 4-(4-tert-butylpiperazin-1-yl)-6-(trifluoromethyl)pyridin-3-amine

4-(4-tert-butylpiperazin-1-yl)-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 106747410) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-(4-tert-butylpiperazin-1-yl)-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(4-tert-butylpiperazin-1-yl)-6-(trifluoromethyl)pyridin-3-amine
PubChem CID106747410
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Name4-(4-tert-butylpiperazin-1-yl)-6-(trifluoromethyl)pyridin-3-amine
SMILESCC(C)(C)N1CCN(c2cc(C(F)(F)F)ncc2N)CC1
InChIInChI=1S/C14H21F3N4/c1-13(2,3)21-6-4-20(5-7-21)11-8-12(14(15,16)17)19-9-10(11)18/h8-9H,4-7,18H2,1-3H3
InChIKeyAPTXLKLYTVVBAX-UHFFFAOYSA-N
XLogP2.60
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-6-(trifluoromethyl)pyridin-3-amine (CID 106747410) is 4-(4-tert-butylpiperazin-1-yl)-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 4-(4-tert-butylpiperazin-1-yl)-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 4-(4-tert-butylpiperazin-1-yl)-6-(trifluoromethyl)pyridin-3-amine is CC(C)(C)N1CCN(c2cc(C(F)(F)F)ncc2N)CC1.
What is the InChIKey of 4-(4-tert-butylpiperazin-1-yl)-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is APTXLKLYTVVBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-13(2,3)21-6-4-20(5-7-21)11-8-12(14(15,16)17)19-9-10(11)18/h8-9H,4-7,18H2,1-3H3.
What are the key properties of 4-(4-tert-butylpiperazin-1-yl)-6-(trifluoromethyl)pyridin-3-amine?
4-(4-tert-butylpiperazin-1-yl)-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 302.34 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperazin-1-yl)-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 106747410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).