[4-(4-tert-butylpiperazin-1-yl)-3,5-difluorophenyl]methanamine

C15H23F2N3 — CID 63077484

IUPAC[4-(4-tert-butylpiperazin-1-yl)-3,5-difluorophenyl]methanamine
SMILESCC(C)(C)N1CCN(c2c(F)cc(CN)cc2F)CC1
InChIInChI=1S/C15H23F2N3/c1-15(2,3)20-6-4-19(5-7-20)14-12(16)8-11(10-18)9-13(14)17/h8-9H,4-7,10,18H2,1-3H3
InChIKeyPFIJMYAMSKZORD-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.34
Rot. Bonds2

About [4-(4-tert-butylpiperazin-1-yl)-3,5-difluorophenyl]methanamine

[4-(4-tert-butylpiperazin-1-yl)-3,5-difluorophenyl]methanamine (PubChem CID 63077484) has the molecular formula C15H23F2N3 and a molecular weight of 283.37 g/mol. Its IUPAC name is [4-(4-tert-butylpiperazin-1-yl)-3,5-difluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(4-tert-butylpiperazin-1-yl)-3,5-difluorophenyl]methanamine
PubChem CID63077484
Molecular FormulaC15H23F2N3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name[4-(4-tert-butylpiperazin-1-yl)-3,5-difluorophenyl]methanamine
SMILESCC(C)(C)N1CCN(c2c(F)cc(CN)cc2F)CC1
InChIInChI=1S/C15H23F2N3/c1-15(2,3)20-6-4-19(5-7-20)14-12(16)8-11(10-18)9-13(14)17/h8-9H,4-7,10,18H2,1-3H3
InChIKeyPFIJMYAMSKZORD-UHFFFAOYSA-N
XLogP2.34
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylpiperazin-1-yl)-3,5-difluorophenyl]methanamine?
The IUPAC name of [4-(4-tert-butylpiperazin-1-yl)-3,5-difluorophenyl]methanamine (CID 63077484) is [4-(4-tert-butylpiperazin-1-yl)-3,5-difluorophenyl]methanamine.
What is the SMILES notation for [4-(4-tert-butylpiperazin-1-yl)-3,5-difluorophenyl]methanamine?
The canonical SMILES for [4-(4-tert-butylpiperazin-1-yl)-3,5-difluorophenyl]methanamine is CC(C)(C)N1CCN(c2c(F)cc(CN)cc2F)CC1.
What is the InChIKey of [4-(4-tert-butylpiperazin-1-yl)-3,5-difluorophenyl]methanamine?
The InChIKey is PFIJMYAMSKZORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3/c1-15(2,3)20-6-4-19(5-7-20)14-12(16)8-11(10-18)9-13(14)17/h8-9H,4-7,10,18H2,1-3H3.
What are the key properties of [4-(4-tert-butylpiperazin-1-yl)-3,5-difluorophenyl]methanamine?
[4-(4-tert-butylpiperazin-1-yl)-3,5-difluorophenyl]methanamine has a molecular weight of 283.37 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylpiperazin-1-yl)-3,5-difluorophenyl]methanamine is sourced from PubChem (CID 63077484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).