(2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C18H18F2N2O2 — CID 896999

IUPAC(2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3c(F)cccc3F)CC2)cc1
InChIInChI=1S/C18H18F2N2O2/c1-24-14-7-5-13(6-8-14)21-9-11-22(12-10-21)18(23)17-15(19)3-2-4-16(17)20/h2-8H,9-12H2,1H3
InChIKeyNRWVUUPZLFLTNY-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.94
Rot. Bonds3

About (2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

(2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 896999) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID896999
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name(2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3c(F)cccc3F)CC2)cc1
InChIInChI=1S/C18H18F2N2O2/c1-24-14-7-5-13(6-8-14)21-9-11-22(12-10-21)18(23)17-15(19)3-2-4-16(17)20/h2-8H,9-12H2,1H3
InChIKeyNRWVUUPZLFLTNY-UHFFFAOYSA-N
XLogP2.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113077374
1-[4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]phenyl]ethanone
CID 43008395
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
[4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51211150
(2,4-difluoro-6-hydroxyphenyl)-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 86861764
[5-(2-fluorophenyl)thiophen-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 55605013
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 2164712
2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one
CID 110856456
[4-(4-methoxyphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 110693625
(2-chloro-6-fluorophenyl)-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 113078755

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 896999) is (2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)c3c(F)cccc3F)CC2)cc1.
What is the InChIKey of (2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is NRWVUUPZLFLTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-24-14-7-5-13(6-8-14)21-9-11-22(12-10-21)18(23)17-15(19)3-2-4-16(17)20/h2-8H,9-12H2,1H3.
What are the key properties of (2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
(2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 332.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 896999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).