N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline

C15H23FN2 — CID 62556361

IUPACN-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline
SMILESCCC1CCN(CCNc2cccc(F)c2)CC1
InChIInChI=1S/C15H23FN2/c1-2-13-6-9-18(10-7-13)11-8-17-15-5-3-4-14(16)12-15/h3-5,12-13,17H,2,6-11H2,1H3
InChIKeyXLJZBZFVPXINLQ-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.36
Rot. Bonds5

About N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline

N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline (PubChem CID 62556361) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline
PubChem CID62556361
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline
SMILESCCC1CCN(CCNc2cccc(F)c2)CC1
InChIInChI=1S/C15H23FN2/c1-2-13-6-9-18(10-7-13)11-8-17-15-5-3-4-14(16)12-15/h3-5,12-13,17H,2,6-11H2,1H3
InChIKeyXLJZBZFVPXINLQ-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline
CID 55249992
N-[2-(azepan-1-yl)ethyl]-3-fluoroaniline
CID 62575706
N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-fluoroaniline
CID 63503645
3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62561355
4-bromo-N-[2-(4-ethylpiperidin-1-yl)ethyl]aniline
CID 63501719
N-[2-(2-ethylmorpholin-4-yl)ethyl]-3-fluoroaniline
CID 62560597
3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 62643546
N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]-3-fluoroaniline
CID 55090353
N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-fluoroaniline
CID 19827128
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-chloroaniline
CID 63501829
3-bromo-N-[2-(4-tert-butylpiperidin-1-yl)ethyl]aniline
CID 63502175
N-(3-fluorophenyl)-3-[4-(methylaminomethyl)piperidin-1-yl]propanamide
CID 63248996

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline?
The IUPAC name of N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline (CID 62556361) is N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline.
What is the SMILES notation for N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline?
The canonical SMILES for N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline is CCC1CCN(CCNc2cccc(F)c2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline?
The InChIKey is XLJZBZFVPXINLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-2-13-6-9-18(10-7-13)11-8-17-15-5-3-4-14(16)12-15/h3-5,12-13,17H,2,6-11H2,1H3.
What are the key properties of N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline?
N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline has a molecular weight of 250.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline is sourced from PubChem (CID 62556361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).