5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2,2-dimethylpiperazine

C16H22F2N2 — CID 64861102

IUPAC5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2,2-dimethylpiperazine
SMILESCC1(C)CNC(C2CC2)CN1Cc1ccc(F)cc1F
InChIInChI=1S/C16H22F2N2/c1-16(2)10-19-15(11-3-4-11)9-20(16)8-12-5-6-13(17)7-14(12)18/h5-7,11,15,19H,3-4,8-10H2,1-2H3
InChIKeyHEPFSLKGMDCYPC-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.93
Rot. Bonds3

About 5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2,2-dimethylpiperazine

5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2,2-dimethylpiperazine (PubChem CID 64861102) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2,2-dimethylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2,2-dimethylpiperazine
PubChem CID64861102
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC Name5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2,2-dimethylpiperazine
SMILESCC1(C)CNC(C2CC2)CN1Cc1ccc(F)cc1F
InChIInChI=1S/C16H22F2N2/c1-16(2)10-19-15(11-3-4-11)9-20(16)8-12-5-6-13(17)7-14(12)18/h5-7,11,15,19H,3-4,8-10H2,1-2H3
InChIKeyHEPFSLKGMDCYPC-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2,2-dimethylpiperazine?
The IUPAC name of 5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2,2-dimethylpiperazine (CID 64861102) is 5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2,2-dimethylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2,2-dimethylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2,2-dimethylpiperazine is CC1(C)CNC(C2CC2)CN1Cc1ccc(F)cc1F.
What is the InChIKey of 5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2,2-dimethylpiperazine?
The InChIKey is HEPFSLKGMDCYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2/c1-16(2)10-19-15(11-3-4-11)9-20(16)8-12-5-6-13(17)7-14(12)18/h5-7,11,15,19H,3-4,8-10H2,1-2H3.
What are the key properties of 5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2,2-dimethylpiperazine?
5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2,2-dimethylpiperazine has a molecular weight of 280.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2,2-dimethylpiperazine is sourced from PubChem (CID 64861102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).