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

C15H20F2N2 — CID 64844702

IUPAC2-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-5-methylpiperazine
SMILESCC1CN(Cc2ccc(F)cc2F)C(C2CC2)CN1
InChIInChI=1S/C15H20F2N2/c1-10-8-19(15(7-18-10)11-2-3-11)9-12-4-5-13(16)6-14(12)17/h4-6,10-11,15,18H,2-3,7-9H2,1H3
InChIKeyXCIOSVKILSMBSN-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.54
Rot. Bonds3

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

2-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-5-methylpiperazine (PubChem CID 64844702) has the molecular formula C15H20F2N2 and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-5-methylpiperazine.

Molecular Properties

Compound Name2-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-5-methylpiperazine
PubChem CID64844702
Molecular FormulaC15H20F2N2
Molecular Weight266.33 g/mol
Exact Mass266.16
IUPAC Name2-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-5-methylpiperazine
SMILESCC1CN(Cc2ccc(F)cc2F)C(C2CC2)CN1
InChIInChI=1S/C15H20F2N2/c1-10-8-19(15(7-18-10)11-2-3-11)9-12-4-5-13(16)6-14(12)17/h4-6,10-11,15,18H,2-3,7-9H2,1H3
InChIKeyXCIOSVKILSMBSN-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-5-methylpiperazine?
The IUPAC name of 2-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-5-methylpiperazine (CID 64844702) is 2-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-5-methylpiperazine.
What is the SMILES notation for 2-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-5-methylpiperazine?
The canonical SMILES for 2-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-5-methylpiperazine is CC1CN(Cc2ccc(F)cc2F)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-5-methylpiperazine?
The InChIKey is XCIOSVKILSMBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2/c1-10-8-19(15(7-18-10)11-2-3-11)9-12-4-5-13(16)6-14(12)17/h4-6,10-11,15,18H,2-3,7-9H2,1H3.
What are the key properties of 2-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-5-methylpiperazine?
2-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-5-methylpiperazine has a molecular weight of 266.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-5-methylpiperazine is sourced from PubChem (CID 64844702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).