1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylmethanamine

C17H27FN2 — CID 63158482

IUPAC1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylmethanamine
SMILESCCC1(CC)CCN(c2ccc(F)cc2CNC)CC1
InChIInChI=1S/C17H27FN2/c1-4-17(5-2)8-10-20(11-9-17)16-7-6-15(18)12-14(16)13-19-3/h6-7,12,19H,4-5,8-11,13H2,1-3H3
InChIKeyAXLIVDOWVPTMIX-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.95
Rot. Bonds5

About 1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylmethanamine

1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylmethanamine (PubChem CID 63158482) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylmethanamine
PubChem CID63158482
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylmethanamine
SMILESCCC1(CC)CCN(c2ccc(F)cc2CNC)CC1
InChIInChI=1S/C17H27FN2/c1-4-17(5-2)8-10-20(11-9-17)16-7-6-15(18)12-14(16)13-19-3/h6-7,12,19H,4-5,8-11,13H2,1-3H3
InChIKeyAXLIVDOWVPTMIX-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylmethanamine (CID 63158482) is 1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylmethanamine is CCC1(CC)CCN(c2ccc(F)cc2CNC)CC1.
What is the InChIKey of 1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylmethanamine?
The InChIKey is AXLIVDOWVPTMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-17(5-2)8-10-20(11-9-17)16-7-6-15(18)12-14(16)13-19-3/h6-7,12,19H,4-5,8-11,13H2,1-3H3.
What are the key properties of 1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylmethanamine?
1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylmethanamine has a molecular weight of 278.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 63158482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).