2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-fluoroaniline

C15H23FN2 — CID 63156387

IUPAC2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-fluoroaniline
SMILESCCC1(C)CCN(Cc2cc(F)ccc2N)CC1
InChIInChI=1S/C15H23FN2/c1-3-15(2)6-8-18(9-7-15)11-12-10-13(16)4-5-14(12)17/h4-5,10H,3,6-9,11,17H2,1-2H3
InChIKeySOXHUPOKLHIZFB-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.42
Rot. Bonds3

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

2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-fluoroaniline (PubChem CID 63156387) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-fluoroaniline
PubChem CID63156387
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-fluoroaniline
SMILESCCC1(C)CCN(Cc2cc(F)ccc2N)CC1
InChIInChI=1S/C15H23FN2/c1-3-15(2)6-8-18(9-7-15)11-12-10-13(16)4-5-14(12)17/h4-5,10H,3,6-9,11,17H2,1-2H3
InChIKeySOXHUPOKLHIZFB-UHFFFAOYSA-N
XLogP3.42
TPSA29.26 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 ≤ 53.42
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-[(2-amino-5-fluorophenyl)methyl]-4-methylazepan-4-ol
CID 107403847
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994265
[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107113388
1-[1-[(2-amino-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 106835532
4-fluoro-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]aniline
CID 55216753
4-chloro-2-[(4,4-dimethylpiperidin-1-yl)methyl]aniline
CID 79582875
[1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771819
4-fluoro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]aniline
CID 61216485
2-[(4,4-diethylpiperidin-1-yl)methyl]-4-methoxyaniline
CID 115414111
N-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 55004343
tert-butyl 4-[(2-amino-5-fluorophenyl)methyl]piperazine-1-carboxylate
CID 104933477
[2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-fluorophenyl]methanamine
CID 64769291

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-fluoroaniline?
The IUPAC name of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-fluoroaniline (CID 63156387) is 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-fluoroaniline.
What is the SMILES notation for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-fluoroaniline?
The canonical SMILES for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-fluoroaniline is CCC1(C)CCN(Cc2cc(F)ccc2N)CC1.
What is the InChIKey of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-fluoroaniline?
The InChIKey is SOXHUPOKLHIZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-15(2)6-8-18(9-7-15)11-12-10-13(16)4-5-14(12)17/h4-5,10H,3,6-9,11,17H2,1-2H3.
What are the key properties of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-fluoroaniline?
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-fluoroaniline has a molecular weight of 250.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-fluoroaniline is sourced from PubChem (CID 63156387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).