1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-imine

C15H22FN3 — CID 63178426

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-imine
SMILES[H]/N=C(\N1CCN(c2ccc(F)cc2)CC1)C(C)(C)C
InChIInChI=1S/C15H22FN3/c1-15(2,3)14(17)19-10-8-18(9-11-19)13-6-4-12(16)5-7-13/h4-7,17H,8-11H2,1-3H3/b17-14-
InChIKeyODPKFJKKRGOMQE-VKAVYKQESA-N
MW263.36 g/mol
LogP2.97
Rot. Bonds1

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-imine

1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-imine (PubChem CID 63178426) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-imine.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-imine
PubChem CID63178426
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-imine
SMILES[H]/N=C(\N1CCN(c2ccc(F)cc2)CC1)C(C)(C)C
InChIInChI=1S/C15H22FN3/c1-15(2,3)14(17)19-10-8-18(9-11-19)13-6-4-12(16)5-7-13/h4-7,17H,8-11H2,1-3H3/b17-14-
InChIKeyODPKFJKKRGOMQE-VKAVYKQESA-N
XLogP2.97
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-imine?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-imine (CID 63178426) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-imine.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-imine?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-imine is [H]/N=C(\N1CCN(c2ccc(F)cc2)CC1)C(C)(C)C.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-imine?
The InChIKey is ODPKFJKKRGOMQE-VKAVYKQESA-N. The full InChI is InChI=1S/C15H22FN3/c1-15(2,3)14(17)19-10-8-18(9-11-19)13-6-4-12(16)5-7-13/h4-7,17H,8-11H2,1-3H3/b17-14-.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-imine?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-imine has a molecular weight of 263.36 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-imine is sourced from PubChem (CID 63178426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).