(2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine

C17H23FN4 — CID 95297188

IUPAC(2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
SMILESC[C@H]1CN(Cc2ccc(F)cc2)CCN1Cc1nccn1C
InChIInChI=1S/C17H23FN4/c1-14-11-21(12-15-3-5-16(18)6-4-15)9-10-22(14)13-17-19-7-8-20(17)2/h3-8,14H,9-13H2,1-2H3/t14-/m0/s1
InChIKeyQJXIVNNCSVGKFU-AWEZNQCLSA-N
MW302.40 g/mol
LogP2.27
Rot. Bonds4

About (2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine

(2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine (PubChem CID 95297188) has the molecular formula C17H23FN4 and a molecular weight of 302.40 g/mol. Its IUPAC name is (2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine.

Molecular Properties

Compound Name(2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
PubChem CID95297188
Molecular FormulaC17H23FN4
Molecular Weight302.40 g/mol
Exact Mass302.19
IUPAC Name(2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
SMILESC[C@H]1CN(Cc2ccc(F)cc2)CCN1Cc1nccn1C
InChIInChI=1S/C17H23FN4/c1-14-11-21(12-15-3-5-16(18)6-4-15)9-10-22(14)13-17-19-7-8-20(17)2/h3-8,14H,9-13H2,1-2H3/t14-/m0/s1
InChIKeyQJXIVNNCSVGKFU-AWEZNQCLSA-N
XLogP2.27
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine?
The IUPAC name of (2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine (CID 95297188) is (2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine.
What is the SMILES notation for (2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine?
The canonical SMILES for (2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine is C[C@H]1CN(Cc2ccc(F)cc2)CCN1Cc1nccn1C.
What is the InChIKey of (2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine?
The InChIKey is QJXIVNNCSVGKFU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23FN4/c1-14-11-21(12-15-3-5-16(18)6-4-15)9-10-22(14)13-17-19-7-8-20(17)2/h3-8,14H,9-13H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine?
(2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine has a molecular weight of 302.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine is sourced from PubChem (CID 95297188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).