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

C14H21FN2 — CID 63188722

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

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

4-[(2-ethylpiperidin-1-yl)methyl]-2-fluoroaniline (PubChem CID 63188722) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 4-[(2-ethylpiperidin-1-yl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name4-[(2-ethylpiperidin-1-yl)methyl]-2-fluoroaniline
PubChem CID63188722
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name4-[(2-ethylpiperidin-1-yl)methyl]-2-fluoroaniline
SMILESCCC1CCCCN1Cc1ccc(N)c(F)c1
InChIInChI=1S/C14H21FN2/c1-2-12-5-3-4-8-17(12)10-11-6-7-14(16)13(15)9-11/h6-7,9,12H,2-5,8,10,16H2,1H3
InChIKeyZPRCJWSGTYSQIP-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

4-[(2-ethylazepan-1-yl)methyl]-2-fluoroaniline
CID 113441589
2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline
CID 43266179
4-[(2-ethylpiperidin-1-yl)methyl]-3-fluoroaniline
CID 64767866
3-[5-[(2-ethylazepan-1-yl)methyl]-2-fluorophenyl]prop-2-yn-1-ol
CID 104691429
4-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 59299936
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-fluoroaniline
CID 82747102
[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methanol
CID 83794056
(2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine
CID 95356235
(2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine
CID 870763
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethylpiperidine
CID 91336363
[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 54970475
4-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one
CID 53191773

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylpiperidin-1-yl)methyl]-2-fluoroaniline?
The IUPAC name of 4-[(2-ethylpiperidin-1-yl)methyl]-2-fluoroaniline (CID 63188722) is 4-[(2-ethylpiperidin-1-yl)methyl]-2-fluoroaniline.
What is the SMILES notation for 4-[(2-ethylpiperidin-1-yl)methyl]-2-fluoroaniline?
The canonical SMILES for 4-[(2-ethylpiperidin-1-yl)methyl]-2-fluoroaniline is CCC1CCCCN1Cc1ccc(N)c(F)c1.
What is the InChIKey of 4-[(2-ethylpiperidin-1-yl)methyl]-2-fluoroaniline?
The InChIKey is ZPRCJWSGTYSQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-2-12-5-3-4-8-17(12)10-11-6-7-14(16)13(15)9-11/h6-7,9,12H,2-5,8,10,16H2,1H3.
What are the key properties of 4-[(2-ethylpiperidin-1-yl)methyl]-2-fluoroaniline?
4-[(2-ethylpiperidin-1-yl)methyl]-2-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]-2-fluoroaniline is sourced from PubChem (CID 63188722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).