[2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride

C13H17ClF2N2O2 — CID 119577090

IUPAC[2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2ccccc2OC(F)F)CCN1.Cl
InChIInChI=1S/C13H16F2N2O2.ClH/c1-9-8-17(7-6-16-9)12(18)10-4-2-3-5-11(10)19-13(14)15;/h2-5,9,13,16H,6-8H2,1H3;1H
InChIKeyKNJYVANGTCJHTL-UHFFFAOYSA-N
MW306.74 g/mol
LogP2.14
Rot. Bonds3

About [2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride

[2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119577090) has the molecular formula C13H17ClF2N2O2 and a molecular weight of 306.74 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119577090
Molecular FormulaC13H17ClF2N2O2
Molecular Weight306.74 g/mol
Exact Mass306.09
IUPAC Name[2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2ccccc2OC(F)F)CCN1.Cl
InChIInChI=1S/C13H16F2N2O2.ClH/c1-9-8-17(7-6-16-9)12(18)10-4-2-3-5-11(10)19-13(14)15;/h2-5,9,13,16H,6-8H2,1H3;1H
InChIKeyKNJYVANGTCJHTL-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.74
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
[4-bromo-2-(difluoromethoxy)phenyl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 171037100
[3-(difluoromethoxy)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580885
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(difluoromethoxy)phenyl]methanone
CID 81486182
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998
[3-(difluoromethoxy)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone
CID 119580886
[2-(difluoromethoxy)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029867
(2-iodophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426406
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119278777
[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43391804
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119278786
N-(2-fluorophenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenoxy]acetamide;hydrochloride
CID 119579274

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride (CID 119577090) is [2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride is CC1CN(C(=O)c2ccccc2OC(F)F)CCN1.Cl.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is KNJYVANGTCJHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2.ClH/c1-9-8-17(7-6-16-9)12(18)10-4-2-3-5-11(10)19-13(14)15;/h2-5,9,13,16H,6-8H2,1H3;1H.
What are the key properties of [2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
[2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 306.74 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119577090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).