[4-(2,4-difluorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone

C19H20F2N2O3 — CID 113079869

IUPAC[4-(2,4-difluorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(c3ccc(F)cc3F)CC2)c1
InChIInChI=1S/C19H20F2N2O3/c1-25-15-9-13(10-16(12-15)26-2)19(24)23-7-5-22(6-8-23)18-4-3-14(20)11-17(18)21/h3-4,9-12H,5-8H2,1-2H3
InChIKeyOQUKVOPNMVXVPT-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.94
Rot. Bonds4

About [4-(2,4-difluorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone

[4-(2,4-difluorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone (PubChem CID 113079869) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is [4-(2,4-difluorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2,4-difluorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
PubChem CID113079869
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Name[4-(2,4-difluorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(c3ccc(F)cc3F)CC2)c1
InChIInChI=1S/C19H20F2N2O3/c1-25-15-9-13(10-16(12-15)26-2)19(24)23-7-5-22(6-8-23)18-4-3-14(20)11-17(18)21/h3-4,9-12H,5-8H2,1-2H3
InChIKeyOQUKVOPNMVXVPT-UHFFFAOYSA-N
XLogP2.94
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 110357981
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 52612498
1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 113079882
tert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate
CID 113079908
[4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 17335532
[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 2880547
3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]benzonitrile
CID 822324
(4-fluorophenyl)-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]methanone
CID 2960844
2-amino-5-[4-(3,5-dimethoxyphenyl)piperazine-1-carbonyl]-3-fluorobenzonitrile
CID 11625164
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 113080341
1-[4-(2,4-difluorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 138106003
[4-(2,4-difluorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 166339714

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone?
The IUPAC name of [4-(2,4-difluorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone (CID 113079869) is [4-(2,4-difluorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for [4-(2,4-difluorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone?
The canonical SMILES for [4-(2,4-difluorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone is COc1cc(OC)cc(C(=O)N2CCN(c3ccc(F)cc3F)CC2)c1.
What is the InChIKey of [4-(2,4-difluorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone?
The InChIKey is OQUKVOPNMVXVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3/c1-25-15-9-13(10-16(12-15)26-2)19(24)23-7-5-22(6-8-23)18-4-3-14(20)11-17(18)21/h3-4,9-12H,5-8H2,1-2H3.
What are the key properties of [4-(2,4-difluorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone?
[4-(2,4-difluorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone has a molecular weight of 362.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 113079869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).