3-fluoro-5-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline

C15H23FN2 — CID 79054955

IUPAC3-fluoro-5-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
SMILESCc1cc(F)cc(NC(C)C2CCN(C)CC2)c1
InChIInChI=1S/C15H23FN2/c1-11-8-14(16)10-15(9-11)17-12(2)13-4-6-18(3)7-5-13/h8-10,12-13,17H,4-7H2,1-3H3
InChIKeyMETDFSCOYVDXHX-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.28
Rot. Bonds3

About 3-fluoro-5-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline

3-fluoro-5-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline (PubChem CID 79054955) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
PubChem CID79054955
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name3-fluoro-5-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
SMILESCc1cc(F)cc(NC(C)C2CCN(C)CC2)c1
InChIInChI=1S/C15H23FN2/c1-11-8-14(16)10-15(9-11)17-12(2)13-4-6-18(3)7-5-13/h8-10,12-13,17H,4-7H2,1-3H3
InChIKeyMETDFSCOYVDXHX-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
The IUPAC name of 3-fluoro-5-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline (CID 79054955) is 3-fluoro-5-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline.
What is the SMILES notation for 3-fluoro-5-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
The canonical SMILES for 3-fluoro-5-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline is Cc1cc(F)cc(NC(C)C2CCN(C)CC2)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
The InChIKey is METDFSCOYVDXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-11-8-14(16)10-15(9-11)17-12(2)13-4-6-18(3)7-5-13/h8-10,12-13,17H,4-7H2,1-3H3.
What are the key properties of 3-fluoro-5-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
3-fluoro-5-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline has a molecular weight of 250.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline is sourced from PubChem (CID 79054955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).