(3,4-difluorophenyl)-(4-methylpiperazin-1-yl)methanone

C12H14F2N2O — CID 550711

IUPAC(3,4-difluorophenyl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C12H14F2N2O/c1-15-4-6-16(7-5-15)12(17)9-2-3-10(13)11(14)8-9/h2-3,8H,4-7H2,1H3
InChIKeyZCPNSVBDWJVJSY-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.35
Rot. Bonds1

About (3,4-difluorophenyl)-(4-methylpiperazin-1-yl)methanone

(3,4-difluorophenyl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 550711) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(4-methylpiperazin-1-yl)methanone
PubChem CID550711
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name(3,4-difluorophenyl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C12H14F2N2O/c1-15-4-6-16(7-5-15)12(17)9-2-3-10(13)11(14)8-9/h2-3,8H,4-7H2,1H3
InChIKeyZCPNSVBDWJVJSY-UHFFFAOYSA-N
XLogP1.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(4-methylpiperazin-1-yl)methanone (CID 550711) is (3,4-difluorophenyl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of (3,4-difluorophenyl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is ZCPNSVBDWJVJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-15-4-6-16(7-5-15)12(17)9-2-3-10(13)11(14)8-9/h2-3,8H,4-7H2,1H3.
What are the key properties of (3,4-difluorophenyl)-(4-methylpiperazin-1-yl)methanone?
(3,4-difluorophenyl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 240.25 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 550711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).