(3,4-difluorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone

C14H18F2N2O — CID 82247181

IUPAC(3,4-difluorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(F)c(F)c2)C(C)(C)CN1
InChIInChI=1S/C14H18F2N2O/c1-9-7-18(14(2,3)8-17-9)13(19)10-4-5-11(15)12(16)6-10/h4-6,9,17H,7-8H2,1-3H3
InChIKeyWEOUWSQRPAGGEO-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.18
Rot. Bonds1

About (3,4-difluorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone

(3,4-difluorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone (PubChem CID 82247181) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone
PubChem CID82247181
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name(3,4-difluorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(F)c(F)c2)C(C)(C)CN1
InChIInChI=1S/C14H18F2N2O/c1-9-7-18(14(2,3)8-17-9)13(19)10-4-5-11(15)12(16)6-10/h4-6,9,17H,7-8H2,1-3H3
InChIKeyWEOUWSQRPAGGEO-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone (CID 82247181) is (3,4-difluorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2ccc(F)c(F)c2)C(C)(C)CN1.
What is the InChIKey of (3,4-difluorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone?
The InChIKey is WEOUWSQRPAGGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-9-7-18(14(2,3)8-17-9)13(19)10-4-5-11(15)12(16)6-10/h4-6,9,17H,7-8H2,1-3H3.
What are the key properties of (3,4-difluorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone?
(3,4-difluorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone has a molecular weight of 268.31 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 82247181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).