2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5-ethylpiperazine

C16H22F2N2 — CID 82924639

IUPAC2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5-ethylpiperazine
SMILESCCC1CN(Cc2ccc(F)c(F)c2)C(C2CC2)CN1
InChIInChI=1S/C16H22F2N2/c1-2-13-10-20(16(8-19-13)12-4-5-12)9-11-3-6-14(17)15(18)7-11/h3,6-7,12-13,16,19H,2,4-5,8-10H2,1H3
InChIKeyGUFPAQJCCSXVOK-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.93
Rot. Bonds4

About 2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5-ethylpiperazine

2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5-ethylpiperazine (PubChem CID 82924639) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5-ethylpiperazine.

Molecular Properties

Compound Name2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5-ethylpiperazine
PubChem CID82924639
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC Name2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5-ethylpiperazine
SMILESCCC1CN(Cc2ccc(F)c(F)c2)C(C2CC2)CN1
InChIInChI=1S/C16H22F2N2/c1-2-13-10-20(16(8-19-13)12-4-5-12)9-11-3-6-14(17)15(18)7-11/h3,6-7,12-13,16,19H,2,4-5,8-10H2,1H3
InChIKeyGUFPAQJCCSXVOK-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze 2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5-ethylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5-ethylpiperazine?
The IUPAC name of 2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5-ethylpiperazine (CID 82924639) is 2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5-ethylpiperazine.
What is the SMILES notation for 2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5-ethylpiperazine?
The canonical SMILES for 2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5-ethylpiperazine is CCC1CN(Cc2ccc(F)c(F)c2)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5-ethylpiperazine?
The InChIKey is GUFPAQJCCSXVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2/c1-2-13-10-20(16(8-19-13)12-4-5-12)9-11-3-6-14(17)15(18)7-11/h3,6-7,12-13,16,19H,2,4-5,8-10H2,1H3.
What are the key properties of 2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5-ethylpiperazine?
2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5-ethylpiperazine has a molecular weight of 280.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5-ethylpiperazine is sourced from PubChem (CID 82924639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).