1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-1-(4-fluorophenyl)-2-methylpropan-2-ol

C16H25FN2O — CID 146466522

IUPAC1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-1-(4-fluorophenyl)-2-methylpropan-2-ol
SMILESC[C@@H]1CN[C@@H](C)CN1C(c1ccc(F)cc1)C(C)(C)O
InChIInChI=1S/C16H25FN2O/c1-11-10-19(12(2)9-18-11)15(16(3,4)20)13-5-7-14(17)8-6-13/h5-8,11-12,15,18,20H,9-10H2,1-4H3/t11-,12+,15?/m0/s1
InChIKeyWGOYULNNTZFSSP-VPUIJTBTSA-N
MW280.39 g/mol
LogP2.32
Rot. Bonds3

About 1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-1-(4-fluorophenyl)-2-methylpropan-2-ol

1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-1-(4-fluorophenyl)-2-methylpropan-2-ol (PubChem CID 146466522) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-1-(4-fluorophenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-1-(4-fluorophenyl)-2-methylpropan-2-ol
PubChem CID146466522
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-1-(4-fluorophenyl)-2-methylpropan-2-ol
SMILESC[C@@H]1CN[C@@H](C)CN1C(c1ccc(F)cc1)C(C)(C)O
InChIInChI=1S/C16H25FN2O/c1-11-10-19(12(2)9-18-11)15(16(3,4)20)13-5-7-14(17)8-6-13/h5-8,11-12,15,18,20H,9-10H2,1-4H3/t11-,12+,15?/m0/s1
InChIKeyWGOYULNNTZFSSP-VPUIJTBTSA-N
XLogP2.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-1-(4-fluorophenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-1-(4-fluorophenyl)-2-methylpropan-2-ol (CID 146466522) is 1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-1-(4-fluorophenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-1-(4-fluorophenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-1-(4-fluorophenyl)-2-methylpropan-2-ol is C[C@@H]1CN[C@@H](C)CN1C(c1ccc(F)cc1)C(C)(C)O.
What is the InChIKey of 1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-1-(4-fluorophenyl)-2-methylpropan-2-ol?
The InChIKey is WGOYULNNTZFSSP-VPUIJTBTSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-11-10-19(12(2)9-18-11)15(16(3,4)20)13-5-7-14(17)8-6-13/h5-8,11-12,15,18,20H,9-10H2,1-4H3/t11-,12+,15?/m0/s1.
What are the key properties of 1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-1-(4-fluorophenyl)-2-methylpropan-2-ol?
1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-1-(4-fluorophenyl)-2-methylpropan-2-ol has a molecular weight of 280.39 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-1-(4-fluorophenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 146466522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).