[4-(difluoromethoxy)phenyl]-(4-phenylpiperazin-1-yl)methanone

C18H18F2N2O2 — CID 4827635

IUPAC[4-(difluoromethoxy)phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(OC(F)F)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H18F2N2O2/c19-18(20)24-16-8-6-14(7-9-16)17(23)22-12-10-21(11-13-22)15-4-2-1-3-5-15/h1-9,18H,10-13H2
InChIKeyAPDWQVFFNPDPJN-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.25
Rot. Bonds4

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

[4-(difluoromethoxy)phenyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 4827635) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID4827635
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name[4-(difluoromethoxy)phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(OC(F)F)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H18F2N2O2/c19-18(20)24-16-8-6-14(7-9-16)17(23)22-12-10-21(11-13-22)15-4-2-1-3-5-15/h1-9,18H,10-13H2
InChIKeyAPDWQVFFNPDPJN-UHFFFAOYSA-N
XLogP3.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 15139
Encainide
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VU0357121
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CID 777378
1-Benzyl-4-(4-ethoxybenzoyl)piperazine
CID 673609
N-(2-Aminophenyl)-4-methoxybenzamide
CID 785232
4-methoxy-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide
CID 3154679
Methanone, (4-(3-chlorophenyl)-1-piperazinyl)(4-methoxyphenyl)-
CID 585383
3,4-dihydro-1(2H)-quinolinyl(4-methoxyphenyl)methanone
CID 710667
1-(4-Ethoxybenzoyl)-4-phenylpiperazine
CID 710515
(2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone
CID 99794612

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [4-(difluoromethoxy)phenyl]-(4-phenylpiperazin-1-yl)methanone (CID 4827635) is [4-(difluoromethoxy)phenyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(difluoromethoxy)phenyl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccc(OC(F)F)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [4-(difluoromethoxy)phenyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is APDWQVFFNPDPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c19-18(20)24-16-8-6-14(7-9-16)17(23)22-12-10-21(11-13-22)15-4-2-1-3-5-15/h1-9,18H,10-13H2.
What are the key properties of [4-(difluoromethoxy)phenyl]-(4-phenylpiperazin-1-yl)methanone?
[4-(difluoromethoxy)phenyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 332.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 4827635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).