1-[(R)-(2,4-dimethoxy-3-methylphenyl)sulfinyl]-4-(2-fluorophenyl)piperazine

C19H23FN2O3S — CID 11861921

IUPAC1-[(R)-(2,4-dimethoxy-3-methylphenyl)sulfinyl]-4-(2-fluorophenyl)piperazine
SMILESCOc1ccc([S@@](=O)N2CCN(c3ccccc3F)CC2)c(OC)c1C
InChIInChI=1S/C19H23FN2O3S/c1-14-17(24-2)8-9-18(19(14)25-3)26(23)22-12-10-21(11-13-22)16-7-5-4-6-15(16)20/h4-9H,10-13H2,1-3H3/t26-/m1/s1
InChIKeyYLDXBRPKZGHADJ-AREMUKBSSA-N
MW378.47 g/mol
LogP3.00
Rot. Bonds5

About 1-[(R)-(2,4-dimethoxy-3-methylphenyl)sulfinyl]-4-(2-fluorophenyl)piperazine

1-[(R)-(2,4-dimethoxy-3-methylphenyl)sulfinyl]-4-(2-fluorophenyl)piperazine (PubChem CID 11861921) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-[(R)-(2,4-dimethoxy-3-methylphenyl)sulfinyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(R)-(2,4-dimethoxy-3-methylphenyl)sulfinyl]-4-(2-fluorophenyl)piperazine
PubChem CID11861921
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name1-[(R)-(2,4-dimethoxy-3-methylphenyl)sulfinyl]-4-(2-fluorophenyl)piperazine
SMILESCOc1ccc([S@@](=O)N2CCN(c3ccccc3F)CC2)c(OC)c1C
InChIInChI=1S/C19H23FN2O3S/c1-14-17(24-2)8-9-18(19(14)25-3)26(23)22-12-10-21(11-13-22)16-7-5-4-6-15(16)20/h4-9H,10-13H2,1-3H3/t26-/m1/s1
InChIKeyYLDXBRPKZGHADJ-AREMUKBSSA-N
XLogP3.00
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-4-ium
CID 6944337
(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 39038315
2-[4-(2-fluorophenyl)piperazin-1-yl]-4,7-dimethoxy-1,3-benzothiazole
CID 121081717
(3,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanethione
CID 3706873
[4-(2-fluorophenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 1089294
1-(2-fluorophenyl)-4-methoxypiperidine
CID 15403847
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 55397391
4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
CID 47139754
(3R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
CID 92990959
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
CID 46163898
1-[(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 3208797
(7S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41455625

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2,4-dimethoxy-3-methylphenyl)sulfinyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[(R)-(2,4-dimethoxy-3-methylphenyl)sulfinyl]-4-(2-fluorophenyl)piperazine (CID 11861921) is 1-[(R)-(2,4-dimethoxy-3-methylphenyl)sulfinyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(R)-(2,4-dimethoxy-3-methylphenyl)sulfinyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[(R)-(2,4-dimethoxy-3-methylphenyl)sulfinyl]-4-(2-fluorophenyl)piperazine is COc1ccc([S@@](=O)N2CCN(c3ccccc3F)CC2)c(OC)c1C.
What is the InChIKey of 1-[(R)-(2,4-dimethoxy-3-methylphenyl)sulfinyl]-4-(2-fluorophenyl)piperazine?
The InChIKey is YLDXBRPKZGHADJ-AREMUKBSSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-14-17(24-2)8-9-18(19(14)25-3)26(23)22-12-10-21(11-13-22)16-7-5-4-6-15(16)20/h4-9H,10-13H2,1-3H3/t26-/m1/s1.
What are the key properties of 1-[(R)-(2,4-dimethoxy-3-methylphenyl)sulfinyl]-4-(2-fluorophenyl)piperazine?
1-[(R)-(2,4-dimethoxy-3-methylphenyl)sulfinyl]-4-(2-fluorophenyl)piperazine has a molecular weight of 378.47 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(2,4-dimethoxy-3-methylphenyl)sulfinyl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 11861921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).