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

C18H27FN2 — CID 114349605

IUPAC5-cyclopropyl-1-[(4-fluoro-2-methylphenyl)methyl]-2,2,5-trimethylpiperazine
SMILESCc1cc(F)ccc1CN1CC(C)(C2CC2)NCC1(C)C
InChIInChI=1S/C18H27FN2/c1-13-9-16(19)8-5-14(13)10-21-12-18(4,15-6-7-15)20-11-17(21,2)3/h5,8-9,15,20H,6-7,10-12H2,1-4H3
InChIKeyHZOYTQDHTNVMPZ-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.49
Rot. Bonds3

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

5-cyclopropyl-1-[(4-fluoro-2-methylphenyl)methyl]-2,2,5-trimethylpiperazine (PubChem CID 114349605) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(4-fluoro-2-methylphenyl)methyl]-2,2,5-trimethylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-[(4-fluoro-2-methylphenyl)methyl]-2,2,5-trimethylpiperazine
PubChem CID114349605
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name5-cyclopropyl-1-[(4-fluoro-2-methylphenyl)methyl]-2,2,5-trimethylpiperazine
SMILESCc1cc(F)ccc1CN1CC(C)(C2CC2)NCC1(C)C
InChIInChI=1S/C18H27FN2/c1-13-9-16(19)8-5-14(13)10-21-12-18(4,15-6-7-15)20-11-17(21,2)3/h5,8-9,15,20H,6-7,10-12H2,1-4H3
InChIKeyHZOYTQDHTNVMPZ-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.49
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-fluoro-2-methylphenyl)methyl]-2,2,5-trimethylpiperazine?
The IUPAC name of 5-cyclopropyl-1-[(4-fluoro-2-methylphenyl)methyl]-2,2,5-trimethylpiperazine (CID 114349605) is 5-cyclopropyl-1-[(4-fluoro-2-methylphenyl)methyl]-2,2,5-trimethylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-[(4-fluoro-2-methylphenyl)methyl]-2,2,5-trimethylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-[(4-fluoro-2-methylphenyl)methyl]-2,2,5-trimethylpiperazine is Cc1cc(F)ccc1CN1CC(C)(C2CC2)NCC1(C)C.
What is the InChIKey of 5-cyclopropyl-1-[(4-fluoro-2-methylphenyl)methyl]-2,2,5-trimethylpiperazine?
The InChIKey is HZOYTQDHTNVMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-13-9-16(19)8-5-14(13)10-21-12-18(4,15-6-7-15)20-11-17(21,2)3/h5,8-9,15,20H,6-7,10-12H2,1-4H3.
What are the key properties of 5-cyclopropyl-1-[(4-fluoro-2-methylphenyl)methyl]-2,2,5-trimethylpiperazine?
5-cyclopropyl-1-[(4-fluoro-2-methylphenyl)methyl]-2,2,5-trimethylpiperazine has a molecular weight of 290.43 g/mol, XLogP of 3.49, 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-fluoro-2-methylphenyl)methyl]-2,2,5-trimethylpiperazine is sourced from PubChem (CID 114349605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).