5-ethyl-3-fluoro-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline

C19H31FN4O — CID 155240094

IUPAC5-ethyl-3-fluoro-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
SMILESCCc1cc(N)c(OC)c(F)c1N1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C19H31FN4O/c1-4-14-13-16(21)19(25-3)17(20)18(14)24-7-5-15(6-8-24)23-11-9-22(2)10-12-23/h13,15H,4-12,21H2,1-3H3
InChIKeyNTMSRYDAXHGUCF-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.20
Rot. Bonds4

About 5-ethyl-3-fluoro-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline

5-ethyl-3-fluoro-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline (PubChem CID 155240094) has the molecular formula C19H31FN4O and a molecular weight of 350.48 g/mol. Its IUPAC name is 5-ethyl-3-fluoro-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline.

Molecular Properties

Compound Name5-ethyl-3-fluoro-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
PubChem CID155240094
Molecular FormulaC19H31FN4O
Molecular Weight350.48 g/mol
Exact Mass350.25
IUPAC Name5-ethyl-3-fluoro-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
SMILESCCc1cc(N)c(OC)c(F)c1N1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C19H31FN4O/c1-4-14-13-16(21)19(25-3)17(20)18(14)24-7-5-15(6-8-24)23-11-9-22(2)10-12-23/h13,15H,4-12,21H2,1-3H3
InChIKeyNTMSRYDAXHGUCF-UHFFFAOYSA-N
XLogP2.20
TPSA44.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[1-(6-bromo-2-fluoro-3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine
CID 155239876
ethane;5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline;1-[1-(2-ethyl-5-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine;methane
CID 167595027
1-[1-(2-ethyl-5-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine
CID 163617744
2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline;molecular hydrogen
CID 144787336
5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propylaniline
CID 167014309
5-ethyl-2-methoxy-4-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]aniline
CID 177085199
1-[1-(4-bromo-2-ethylphenyl)piperidin-4-yl]-4-methylpiperazine
CID 175689373
2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline;tris(2,2,2-trifluoroacetic acid)
CID 86677522
[2-amino-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl] carbamate
CID 175146069
3,5-difluoro-2-methoxy-4-piperazin-1-ylaniline
CID 88756943
1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
CID 123493648
2-(difluoromethoxy)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
CID 162611129

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-fluoro-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline?
The IUPAC name of 5-ethyl-3-fluoro-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline (CID 155240094) is 5-ethyl-3-fluoro-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline.
What is the SMILES notation for 5-ethyl-3-fluoro-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline?
The canonical SMILES for 5-ethyl-3-fluoro-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline is CCc1cc(N)c(OC)c(F)c1N1CCC(N2CCN(C)CC2)CC1.
What is the InChIKey of 5-ethyl-3-fluoro-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline?
The InChIKey is NTMSRYDAXHGUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN4O/c1-4-14-13-16(21)19(25-3)17(20)18(14)24-7-5-15(6-8-24)23-11-9-22(2)10-12-23/h13,15H,4-12,21H2,1-3H3.
What are the key properties of 5-ethyl-3-fluoro-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline?
5-ethyl-3-fluoro-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline has a molecular weight of 350.48 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-fluoro-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline is sourced from PubChem (CID 155240094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).