3-(3-fluoro-1-methylpiperidin-3-yl)aniline

C12H17FN2 — CID 105461987

IUPAC3-(3-fluoro-1-methylpiperidin-3-yl)aniline
SMILESCN1CCCC(F)(c2cccc(N)c2)C1
InChIInChI=1S/C12H17FN2/c1-15-7-3-6-12(13,9-15)10-4-2-5-11(14)8-10/h2,4-5,8H,3,6-7,9,14H2,1H3
InChIKeyKURMGHGRKQLYQW-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.16
Rot. Bonds1

About 3-(3-fluoro-1-methylpiperidin-3-yl)aniline

3-(3-fluoro-1-methylpiperidin-3-yl)aniline (PubChem CID 105461987) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-(3-fluoro-1-methylpiperidin-3-yl)aniline.

Molecular Properties

Compound Name3-(3-fluoro-1-methylpiperidin-3-yl)aniline
PubChem CID105461987
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name3-(3-fluoro-1-methylpiperidin-3-yl)aniline
SMILESCN1CCCC(F)(c2cccc(N)c2)C1
InChIInChI=1S/C12H17FN2/c1-15-7-3-6-12(13,9-15)10-4-2-5-11(14)8-10/h2,4-5,8H,3,6-7,9,14H2,1H3
InChIKeyKURMGHGRKQLYQW-UHFFFAOYSA-N
XLogP2.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.16
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-(3-fluoro-1-methylpiperidin-3-yl)phenyl]methanamine
CID 105479469
3-(3-fluorooxan-3-yl)aniline
CID 105448971
3-(3-fluoro-1-methylpyrrolidin-3-yl)benzaldehyde
CID 105460283
1-methyl-3-[3-(trifluoromethyl)phenyl]piperidin-3-amine
CID 59438498
3-(3-aminophenyl)-1-ethylpiperidin-3-ol
CID 25223580
(3R)-1-methyl-3-phenylpiperidin-3-amine
CID 89041610
3-[1-(1-fluoroethyl)cyclobutyl]aniline
CID 84720155
3-(1-aminocyclopentyl)aniline
CID 117047301
3-(4-fluoro-4-methylazepan-1-yl)aniline
CID 115033481
4-[(3-fluoro-1-methylpiperidin-3-yl)methyl]aniline
CID 105479479
3-(3-fluoro-3-methylpyrrolidin-1-yl)aniline
CID 115019869
3-fluoro-1-methyl-3-phenylazetidine
CID 126996744

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-1-methylpiperidin-3-yl)aniline?
The IUPAC name of 3-(3-fluoro-1-methylpiperidin-3-yl)aniline (CID 105461987) is 3-(3-fluoro-1-methylpiperidin-3-yl)aniline.
What is the SMILES notation for 3-(3-fluoro-1-methylpiperidin-3-yl)aniline?
The canonical SMILES for 3-(3-fluoro-1-methylpiperidin-3-yl)aniline is CN1CCCC(F)(c2cccc(N)c2)C1.
What is the InChIKey of 3-(3-fluoro-1-methylpiperidin-3-yl)aniline?
The InChIKey is KURMGHGRKQLYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-15-7-3-6-12(13,9-15)10-4-2-5-11(14)8-10/h2,4-5,8H,3,6-7,9,14H2,1H3.
What are the key properties of 3-(3-fluoro-1-methylpiperidin-3-yl)aniline?
3-(3-fluoro-1-methylpiperidin-3-yl)aniline has a molecular weight of 208.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-1-methylpiperidin-3-yl)aniline is sourced from PubChem (CID 105461987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).