(4-benzylpiperazin-1-yl)-[3,5-dichloro-2-(difluoromethoxy)phenyl]methanone

C19H18Cl2F2N2O2 — CID 17485080

IUPAC(4-benzylpiperazin-1-yl)-[3,5-dichloro-2-(difluoromethoxy)phenyl]methanone
SMILESO=C(c1cc(Cl)cc(Cl)c1OC(F)F)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H18Cl2F2N2O2/c20-14-10-15(17(16(21)11-14)27-19(22)23)18(26)25-8-6-24(7-9-25)12-13-4-2-1-3-5-13/h1-5,10-11,19H,6-9,12H2
InChIKeyWEEHUVHQHFIYRJ-UHFFFAOYSA-N
MW415.27 g/mol
LogP4.55
Rot. Bonds5

About (4-benzylpiperazin-1-yl)-[3,5-dichloro-2-(difluoromethoxy)phenyl]methanone

(4-benzylpiperazin-1-yl)-[3,5-dichloro-2-(difluoromethoxy)phenyl]methanone (PubChem CID 17485080) has the molecular formula C19H18Cl2F2N2O2 and a molecular weight of 415.27 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[3,5-dichloro-2-(difluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[3,5-dichloro-2-(difluoromethoxy)phenyl]methanone
PubChem CID17485080
Molecular FormulaC19H18Cl2F2N2O2
Molecular Weight415.27 g/mol
Exact Mass414.07
IUPAC Name(4-benzylpiperazin-1-yl)-[3,5-dichloro-2-(difluoromethoxy)phenyl]methanone
SMILESO=C(c1cc(Cl)cc(Cl)c1OC(F)F)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H18Cl2F2N2O2/c20-14-10-15(17(16(21)11-14)27-19(22)23)18(26)25-8-6-24(7-9-25)12-13-4-2-1-3-5-13/h1-5,10-11,19H,6-9,12H2
InChIKeyWEEHUVHQHFIYRJ-UHFFFAOYSA-N
XLogP4.55
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.27
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-benzylpiperazin-1-yl)-[3,5-dichloro-2-(difluoromethoxy)phenyl]methanone with MolForge

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Related Compounds

(4-benzyl-1,4-diazepan-1-yl)-(2,5-dichlorophenyl)methanone
CID 18157465
[2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 4035755
(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325396
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 19290962
(4-benzylpiperazin-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone
CID 9338329
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone;oxalic acid
CID 648267
3-[[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methyl]benzonitrile
CID 37450241
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 19329376
(4-benzylpiperazin-1-yl)-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 7964644
(4-benzylpiperazin-1-yl)-(2-chloro-3-fluoro-4-pyridinyl)methanone
CID 110853109
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-iodophenyl)methanone
CID 19323523
[2-(difluoromethoxy)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]methanone
CID 78840337

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[3,5-dichloro-2-(difluoromethoxy)phenyl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[3,5-dichloro-2-(difluoromethoxy)phenyl]methanone (CID 17485080) is (4-benzylpiperazin-1-yl)-[3,5-dichloro-2-(difluoromethoxy)phenyl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[3,5-dichloro-2-(difluoromethoxy)phenyl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[3,5-dichloro-2-(difluoromethoxy)phenyl]methanone is O=C(c1cc(Cl)cc(Cl)c1OC(F)F)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[3,5-dichloro-2-(difluoromethoxy)phenyl]methanone?
The InChIKey is WEEHUVHQHFIYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2F2N2O2/c20-14-10-15(17(16(21)11-14)27-19(22)23)18(26)25-8-6-24(7-9-25)12-13-4-2-1-3-5-13/h1-5,10-11,19H,6-9,12H2.
What are the key properties of (4-benzylpiperazin-1-yl)-[3,5-dichloro-2-(difluoromethoxy)phenyl]methanone?
(4-benzylpiperazin-1-yl)-[3,5-dichloro-2-(difluoromethoxy)phenyl]methanone has a molecular weight of 415.27 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[3,5-dichloro-2-(difluoromethoxy)phenyl]methanone is sourced from PubChem (CID 17485080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).