[4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone

C13H16F2N2O2 — CID 62672938

IUPAC[4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone
SMILESCC1CNCCN1C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H16F2N2O2/c1-9-8-16-6-7-17(9)12(18)10-2-4-11(5-3-10)19-13(14)15/h2-5,9,13,16H,6-8H2,1H3
InChIKeyRJPYWCUGSUAVQK-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.72
Rot. Bonds3

About [4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone

[4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone (PubChem CID 62672938) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone
PubChem CID62672938
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name[4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone
SMILESCC1CNCCN1C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H16F2N2O2/c1-9-8-16-6-7-17(9)12(18)10-2-4-11(5-3-10)19-13(14)15/h2-5,9,13,16H,6-8H2,1H3
InChIKeyRJPYWCUGSUAVQK-UHFFFAOYSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-1-(2-methylpiperazin-1-yl)ethanone
CID 119471466
(2-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119472401
(2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 119470393
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
[1-[4-(difluoromethoxy)phenyl]-5-methyltriazol-4-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472670
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
(4-tert-butylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62673639
(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705106
(2-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119472958
[4-(cyclopropylmethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471413
(4-ethylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705638

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone (CID 62672938) is [4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone is CC1CNCCN1C(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of [4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone?
The InChIKey is RJPYWCUGSUAVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-9-8-16-6-7-17(9)12(18)10-2-4-11(5-3-10)19-13(14)15/h2-5,9,13,16H,6-8H2,1H3.
What are the key properties of [4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone?
[4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone has a molecular weight of 270.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 62672938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).