1-[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]ethanamine

C14H21FN2 — CID 84727415

IUPAC1-[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]ethanamine
SMILESCC(N)c1ccccc1C1(F)CCN(C)CC1
InChIInChI=1S/C14H21FN2/c1-11(16)12-5-3-4-6-13(12)14(15)7-9-17(2)10-8-14/h3-6,11H,7-10,16H2,1-2H3
InChIKeyUMLRIFMEZSECGD-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.60
Rot. Bonds2

About 1-[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]ethanamine

1-[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]ethanamine (PubChem CID 84727415) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]ethanamine
PubChem CID84727415
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]ethanamine
SMILESCC(N)c1ccccc1C1(F)CCN(C)CC1
InChIInChI=1S/C14H21FN2/c1-11(16)12-5-3-4-6-13(12)14(15)7-9-17(2)10-8-14/h3-6,11H,7-10,16H2,1-2H3
InChIKeyUMLRIFMEZSECGD-UHFFFAOYSA-N
XLogP2.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]methanamine
CID 84725142
3-(2,3-difluorophenyl)-3-fluoro-1-methylpyrrolidine
CID 68520060
1-[2-(4-fluorooxan-4-yl)phenyl]-N-methylethanamine
CID 84727528
1-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)ethanamine
CID 84771640
(1R)-1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethanamine
CID 138750557
1-methylspiro[piperidine-4,9'-thioxanthene] 10',10'-dioxide
CID 22463940
4,4-difluoro-1-(2-propan-2-ylphenyl)piperidine
CID 117007764
1-[2-(azepan-1-yl)phenyl]ethanamine
CID 10680362
(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine
CID 28801549
2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol
CID 55189416
[1-methyl-4-(2-methylsulfanylphenyl)piperidin-4-yl]methanamine
CID 82026904
(1S)-1-[2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 78936484

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]ethanamine?
The IUPAC name of 1-[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]ethanamine (CID 84727415) is 1-[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]ethanamine?
The canonical SMILES for 1-[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]ethanamine is CC(N)c1ccccc1C1(F)CCN(C)CC1.
What is the InChIKey of 1-[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]ethanamine?
The InChIKey is UMLRIFMEZSECGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11(16)12-5-3-4-6-13(12)14(15)7-9-17(2)10-8-14/h3-6,11H,7-10,16H2,1-2H3.
What are the key properties of 1-[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]ethanamine?
1-[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]ethanamine has a molecular weight of 236.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]ethanamine is sourced from PubChem (CID 84727415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).