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

C14H18F2N2 — CID 64833211

IUPAC3-cyclopropyl-1-[(2,5-difluorophenyl)methyl]piperazine
SMILESFc1ccc(F)c(CN2CCNC(C3CC3)C2)c1
InChIInChI=1S/C14H18F2N2/c15-12-3-4-13(16)11(7-12)8-18-6-5-17-14(9-18)10-1-2-10/h3-4,7,10,14,17H,1-2,5-6,8-9H2
InChIKeyXLPOYRHFPIDLPD-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.15
Rot. Bonds3

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

3-cyclopropyl-1-[(2,5-difluorophenyl)methyl]piperazine (PubChem CID 64833211) has the molecular formula C14H18F2N2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(2,5-difluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name3-cyclopropyl-1-[(2,5-difluorophenyl)methyl]piperazine
PubChem CID64833211
Molecular FormulaC14H18F2N2
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name3-cyclopropyl-1-[(2,5-difluorophenyl)methyl]piperazine
SMILESFc1ccc(F)c(CN2CCNC(C3CC3)C2)c1
InChIInChI=1S/C14H18F2N2/c15-12-3-4-13(16)11(7-12)8-18-6-5-17-14(9-18)10-1-2-10/h3-4,7,10,14,17H,1-2,5-6,8-9H2
InChIKeyXLPOYRHFPIDLPD-UHFFFAOYSA-N
XLogP2.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(2,5-difluorophenyl)methyl]piperazine?
The IUPAC name of 3-cyclopropyl-1-[(2,5-difluorophenyl)methyl]piperazine (CID 64833211) is 3-cyclopropyl-1-[(2,5-difluorophenyl)methyl]piperazine.
What is the SMILES notation for 3-cyclopropyl-1-[(2,5-difluorophenyl)methyl]piperazine?
The canonical SMILES for 3-cyclopropyl-1-[(2,5-difluorophenyl)methyl]piperazine is Fc1ccc(F)c(CN2CCNC(C3CC3)C2)c1.
What is the InChIKey of 3-cyclopropyl-1-[(2,5-difluorophenyl)methyl]piperazine?
The InChIKey is XLPOYRHFPIDLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2/c15-12-3-4-13(16)11(7-12)8-18-6-5-17-14(9-18)10-1-2-10/h3-4,7,10,14,17H,1-2,5-6,8-9H2.
What are the key properties of 3-cyclopropyl-1-[(2,5-difluorophenyl)methyl]piperazine?
3-cyclopropyl-1-[(2,5-difluorophenyl)methyl]piperazine has a molecular weight of 252.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(2,5-difluorophenyl)methyl]piperazine is sourced from PubChem (CID 64833211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).