4-ethoxy-3-fluoro-N-(2-piperidin-4-ylethyl)aniline

C15H23FN2O — CID 115211522

IUPAC4-ethoxy-3-fluoro-N-(2-piperidin-4-ylethyl)aniline
SMILESCCOc1ccc(NCCC2CCNCC2)cc1F
InChIInChI=1S/C15H23FN2O/c1-2-19-15-4-3-13(11-14(15)16)18-10-7-12-5-8-17-9-6-12/h3-4,11-12,17-18H,2,5-10H2,1H3
InChIKeyUIHCYPWHUMJWBT-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.03
Rot. Bonds6

About 4-ethoxy-3-fluoro-N-(2-piperidin-4-ylethyl)aniline

4-ethoxy-3-fluoro-N-(2-piperidin-4-ylethyl)aniline (PubChem CID 115211522) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-N-(2-piperidin-4-ylethyl)aniline.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-N-(2-piperidin-4-ylethyl)aniline
PubChem CID115211522
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name4-ethoxy-3-fluoro-N-(2-piperidin-4-ylethyl)aniline
SMILESCCOc1ccc(NCCC2CCNCC2)cc1F
InChIInChI=1S/C15H23FN2O/c1-2-19-15-4-3-13(11-14(15)16)18-10-7-12-5-8-17-9-6-12/h3-4,11-12,17-18H,2,5-10H2,1H3
InChIKeyUIHCYPWHUMJWBT-UHFFFAOYSA-N
XLogP3.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3,4-diethoxy-N-(piperidin-4-ylmethyl)aniline
CID 79699182
4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine
CID 82291965
N-(chloromethyl)-4-ethoxy-3-fluoroaniline
CID 115262696
4-ethoxy-N-ethyl-3-fluoroaniline
CID 82490729
3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline
CID 79708094
3-chloro-4-ethoxy-N-(piperidin-4-ylmethyl)aniline
CID 79707140
N-(2-chloroethyl)-4-ethoxy-3-fluoroaniline
CID 115214595
4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine
CID 113478541
4-(difluoromethoxy)-3-fluoro-N-(piperidin-4-ylmethyl)aniline
CID 79708271
N-(4-ethoxy-3-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206242
N-(2-butoxyethyl)-4-ethoxy-3-fluoroaniline
CID 113399744
1-N-(4-ethoxy-3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115222000

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-N-(2-piperidin-4-ylethyl)aniline?
The IUPAC name of 4-ethoxy-3-fluoro-N-(2-piperidin-4-ylethyl)aniline (CID 115211522) is 4-ethoxy-3-fluoro-N-(2-piperidin-4-ylethyl)aniline.
What is the SMILES notation for 4-ethoxy-3-fluoro-N-(2-piperidin-4-ylethyl)aniline?
The canonical SMILES for 4-ethoxy-3-fluoro-N-(2-piperidin-4-ylethyl)aniline is CCOc1ccc(NCCC2CCNCC2)cc1F.
What is the InChIKey of 4-ethoxy-3-fluoro-N-(2-piperidin-4-ylethyl)aniline?
The InChIKey is UIHCYPWHUMJWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-2-19-15-4-3-13(11-14(15)16)18-10-7-12-5-8-17-9-6-12/h3-4,11-12,17-18H,2,5-10H2,1H3.
What are the key properties of 4-ethoxy-3-fluoro-N-(2-piperidin-4-ylethyl)aniline?
4-ethoxy-3-fluoro-N-(2-piperidin-4-ylethyl)aniline has a molecular weight of 266.36 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-N-(2-piperidin-4-ylethyl)aniline is sourced from PubChem (CID 115211522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).