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

C14H21FN2 — CID 64767866

IUPAC4-[(2-ethylpiperidin-1-yl)methyl]-3-fluoroaniline
SMILESCCC1CCCCN1Cc1ccc(N)cc1F
InChIInChI=1S/C14H21FN2/c1-2-13-5-3-4-8-17(13)10-11-6-7-12(16)9-14(11)15/h6-7,9,13H,2-5,8,10,16H2,1H3
InChIKeyHREGUVKDZGNJEC-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.17
Rot. Bonds3

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

4-[(2-ethylpiperidin-1-yl)methyl]-3-fluoroaniline (PubChem CID 64767866) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 4-[(2-ethylpiperidin-1-yl)methyl]-3-fluoroaniline.

Molecular Properties

Compound Name4-[(2-ethylpiperidin-1-yl)methyl]-3-fluoroaniline
PubChem CID64767866
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name4-[(2-ethylpiperidin-1-yl)methyl]-3-fluoroaniline
SMILESCCC1CCCCN1Cc1ccc(N)cc1F
InChIInChI=1S/C14H21FN2/c1-2-13-5-3-4-8-17(13)10-11-6-7-12(16)9-14(11)15/h6-7,9,13H,2-5,8,10,16H2,1H3
InChIKeyHREGUVKDZGNJEC-UHFFFAOYSA-N
XLogP3.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-bromo-2-fluorophenyl)methyl]-2-ethylazepane
CID 113441891
4-chloro-3-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 60973735
1-[(4-amino-2-fluorophenyl)methyl]piperidine-2-carboxamide
CID 64770224
[2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine
CID 104689110
4-[(2-ethylpiperidin-1-yl)methyl]-2-fluoroaniline
CID 63188722
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-fluoroaniline
CID 82746595
4-[(2-ethylazepan-1-yl)methyl]-2-fluoroaniline
CID 113441589
4-bromo-3-[(2-propylpiperidin-1-yl)methyl]aniline
CID 83056021
2-[(2-ethylpiperidin-1-yl)methyl]-5-fluorobenzenecarbothioamide
CID 63292628
(2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine
CID 870763
4-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 59299936
1-[(2-bromo-3-fluorophenyl)methyl]-2-ethylazepane
CID 104691389

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylpiperidin-1-yl)methyl]-3-fluoroaniline?
The IUPAC name of 4-[(2-ethylpiperidin-1-yl)methyl]-3-fluoroaniline (CID 64767866) is 4-[(2-ethylpiperidin-1-yl)methyl]-3-fluoroaniline.
What is the SMILES notation for 4-[(2-ethylpiperidin-1-yl)methyl]-3-fluoroaniline?
The canonical SMILES for 4-[(2-ethylpiperidin-1-yl)methyl]-3-fluoroaniline is CCC1CCCCN1Cc1ccc(N)cc1F.
What is the InChIKey of 4-[(2-ethylpiperidin-1-yl)methyl]-3-fluoroaniline?
The InChIKey is HREGUVKDZGNJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-2-13-5-3-4-8-17(13)10-11-6-7-12(16)9-14(11)15/h6-7,9,13H,2-5,8,10,16H2,1H3.
What are the key properties of 4-[(2-ethylpiperidin-1-yl)methyl]-3-fluoroaniline?
4-[(2-ethylpiperidin-1-yl)methyl]-3-fluoroaniline has a molecular weight of 236.33 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylpiperidin-1-yl)methyl]-3-fluoroaniline is sourced from PubChem (CID 64767866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).