(3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone

C13H17FN2O2 — CID 65418976

IUPAC(3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCNC(C)C2)cc1F
InChIInChI=1S/C13H17FN2O2/c1-9-8-16(6-5-15-9)13(17)10-3-4-12(18-2)11(14)7-10/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyFYZNSKALWYIFOA-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.27
Rot. Bonds2

About (3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone

(3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone (PubChem CID 65418976) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
PubChem CID65418976
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name(3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCNC(C)C2)cc1F
InChIInChI=1S/C13H17FN2O2/c1-9-8-16(6-5-15-9)13(17)10-3-4-12(18-2)11(14)7-10/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyFYZNSKALWYIFOA-UHFFFAOYSA-N
XLogP1.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428147
(4-methoxy-3-nitrophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427141
(4-fluoro-3-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65417667
(3-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 82875734
[4-(2,4-difluorophenoxy)phenyl]-(3-methylpiperazin-1-yl)methanone
CID 119577253
(3-fluoro-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501438
(3-chloropyrrolidin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 63394230
(3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 119580704
(3-methylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119580698
(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852
2-[2-methoxy-4-[(3R)-3-methylpiperazine-1-carbonyl]phenoxy]-N-methylacetamide
CID 125119722
[3-methoxy-4-(3-methylbutoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579815

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone (CID 65418976) is (3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone is COc1ccc(C(=O)N2CCNC(C)C2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone?
The InChIKey is FYZNSKALWYIFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-9-8-16(6-5-15-9)13(17)10-3-4-12(18-2)11(14)7-10/h3-4,7,9,15H,5-6,8H2,1-2H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone?
(3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone has a molecular weight of 252.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 65418976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).