(3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone

C17H14F4N2O — CID 113081265

IUPAC(3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C17H14F4N2O/c18-12-5-4-11(10-15(12)21)17(24)23-8-6-22(7-9-23)16-13(19)2-1-3-14(16)20/h1-5,10H,6-9H2
InChIKeyBYRZJTLHBLDVKR-UHFFFAOYSA-N
MW338.30 g/mol
LogP3.21
Rot. Bonds2

About (3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone

(3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone (PubChem CID 113081265) has the molecular formula C17H14F4N2O and a molecular weight of 338.30 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
PubChem CID113081265
Molecular FormulaC17H14F4N2O
Molecular Weight338.30 g/mol
Exact Mass338.10
IUPAC Name(3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C17H14F4N2O/c18-12-5-4-11(10-15(12)21)17(24)23-8-6-22(7-9-23)16-13(19)2-1-3-14(16)20/h1-5,10H,6-9H2
InChIKeyBYRZJTLHBLDVKR-UHFFFAOYSA-N
XLogP3.21
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17465933
(3,4-difluorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 110815197
[4-(4-bromophenyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 113077272
[4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113081228
(3,4-difluorophenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone
CID 90506426
[4-(3,4-difluorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 86345157
(3,4-difluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334310
(3,4-difluorophenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816676
(3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 110721410
[4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone
CID 113081342
(3,4-difluorophenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108731295
[4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113081223

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone (CID 113081265) is (3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCN(c2c(F)cccc2F)CC1.
What is the InChIKey of (3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone?
The InChIKey is BYRZJTLHBLDVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N2O/c18-12-5-4-11(10-15(12)21)17(24)23-8-6-22(7-9-23)16-13(19)2-1-3-14(16)20/h1-5,10H,6-9H2.
What are the key properties of (3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone?
(3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone has a molecular weight of 338.30 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113081265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).