5-cyclopropyl-1-[(4-fluorophenyl)methyl]-2,2,5-trimethylpiperazine

C17H25FN2 — CID 64878267

IUPAC5-cyclopropyl-1-[(4-fluorophenyl)methyl]-2,2,5-trimethylpiperazine
SMILESCC1(C2CC2)CN(Cc2ccc(F)cc2)C(C)(C)CN1
InChIInChI=1S/C17H25FN2/c1-16(2)11-19-17(3,14-6-7-14)12-20(16)10-13-4-8-15(18)9-5-13/h4-5,8-9,14,19H,6-7,10-12H2,1-3H3
InChIKeyQIMRIEGXGUVLHP-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.18
Rot. Bonds3

About 5-cyclopropyl-1-[(4-fluorophenyl)methyl]-2,2,5-trimethylpiperazine

5-cyclopropyl-1-[(4-fluorophenyl)methyl]-2,2,5-trimethylpiperazine (PubChem CID 64878267) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(4-fluorophenyl)methyl]-2,2,5-trimethylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-[(4-fluorophenyl)methyl]-2,2,5-trimethylpiperazine
PubChem CID64878267
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name5-cyclopropyl-1-[(4-fluorophenyl)methyl]-2,2,5-trimethylpiperazine
SMILESCC1(C2CC2)CN(Cc2ccc(F)cc2)C(C)(C)CN1
InChIInChI=1S/C17H25FN2/c1-16(2)11-19-17(3,14-6-7-14)12-20(16)10-13-4-8-15(18)9-5-13/h4-5,8-9,14,19H,6-7,10-12H2,1-3H3
InChIKeyQIMRIEGXGUVLHP-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(4-fluorophenyl)methyl]-2,2,5-trimethylpiperazine?
The IUPAC name of 5-cyclopropyl-1-[(4-fluorophenyl)methyl]-2,2,5-trimethylpiperazine (CID 64878267) is 5-cyclopropyl-1-[(4-fluorophenyl)methyl]-2,2,5-trimethylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-[(4-fluorophenyl)methyl]-2,2,5-trimethylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-[(4-fluorophenyl)methyl]-2,2,5-trimethylpiperazine is CC1(C2CC2)CN(Cc2ccc(F)cc2)C(C)(C)CN1.
What is the InChIKey of 5-cyclopropyl-1-[(4-fluorophenyl)methyl]-2,2,5-trimethylpiperazine?
The InChIKey is QIMRIEGXGUVLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-16(2)11-19-17(3,14-6-7-14)12-20(16)10-13-4-8-15(18)9-5-13/h4-5,8-9,14,19H,6-7,10-12H2,1-3H3.
What are the key properties of 5-cyclopropyl-1-[(4-fluorophenyl)methyl]-2,2,5-trimethylpiperazine?
5-cyclopropyl-1-[(4-fluorophenyl)methyl]-2,2,5-trimethylpiperazine has a molecular weight of 276.40 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(4-fluorophenyl)methyl]-2,2,5-trimethylpiperazine is sourced from PubChem (CID 64878267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).