(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C19H21FN2O3 — CID 668885

IUPAC(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN2O3/c1-24-16-4-3-5-17(25-2)18(16)19(23)22-12-10-21(11-13-22)15-8-6-14(20)7-9-15/h3-9H,10-13H2,1-2H3
InChIKeyPYWTYXNVCIFKPL-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.81
Rot. Bonds4

About (2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 668885) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID668885
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN2O3/c1-24-16-4-3-5-17(25-2)18(16)19(23)22-12-10-21(11-13-22)15-8-6-14(20)7-9-15/h3-9H,10-13H2,1-2H3
InChIKeyPYWTYXNVCIFKPL-UHFFFAOYSA-N
XLogP2.81
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113077374
(2,6-dimethoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3777352
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 47005182
(3-bromo-4-methoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46522257
(2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 896999
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 113076851
methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110818263
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanethione
CID 2216789
N-[3-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078217
[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 108544554
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 42266552
[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 108533978

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 668885) is (2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is COc1cccc(OC)c1C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is PYWTYXNVCIFKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-24-16-4-3-5-17(25-2)18(16)19(23)22-12-10-21(11-13-22)15-8-6-14(20)7-9-15/h3-9H,10-13H2,1-2H3.
What are the key properties of (2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 344.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 668885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).