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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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).