1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine

C17H27FN2 — CID 62199086

IUPAC1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine
SMILESCCCC1CCN(c2cccc(F)c2C(C)NC)CC1
InChIInChI=1S/C17H27FN2/c1-4-6-14-9-11-20(12-10-14)16-8-5-7-15(18)17(16)13(2)19-3/h5,7-8,13-14,19H,4,6,9-12H2,1-3H3
InChIKeyXDOCVFKVQBUIKM-UHFFFAOYSA-N
MW278.42 g/mol
LogP4.12
Rot. Bonds5

About 1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine

1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine (PubChem CID 62199086) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine
PubChem CID62199086
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine
SMILESCCCC1CCN(c2cccc(F)c2C(C)NC)CC1
InChIInChI=1S/C17H27FN2/c1-4-6-14-9-11-20(12-10-14)16-8-5-7-15(18)17(16)13(2)19-3/h5,7-8,13-14,19H,4,6,9-12H2,1-3H3
InChIKeyXDOCVFKVQBUIKM-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 63369022
N,N-diethyl-1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]pyrrolidin-3-amine
CID 63170648
1-[2-fluoro-6-(3-propylpyrrolidin-1-yl)phenyl]ethanamine
CID 113417823
1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 61421255
1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-4-ol
CID 81097018
1-[2-(3,5-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-methylethanamine
CID 43284267
1-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 82968790
1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-6-fluorophenyl]-N-methylethanamine
CID 63150495
N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine
CID 43584613
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-fluorophenyl]-N-methylethanamine
CID 65320533
(1R)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-fluorophenyl]ethanamine
CID 63368625
1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone
CID 62076817

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine (CID 62199086) is 1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine is CCCC1CCN(c2cccc(F)c2C(C)NC)CC1.
What is the InChIKey of 1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine?
The InChIKey is XDOCVFKVQBUIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-6-14-9-11-20(12-10-14)16-8-5-7-15(18)17(16)13(2)19-3/h5,7-8,13-14,19H,4,6,9-12H2,1-3H3.
What are the key properties of 1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine?
1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine has a molecular weight of 278.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 62199086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).