N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-fluoroaniline

C17H27FN2 — CID 63503645

IUPACN-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-fluoroaniline
SMILESCCC1(CC)CCN(CCNc2cccc(F)c2)CC1
InChIInChI=1S/C17H27FN2/c1-3-17(4-2)8-11-20(12-9-17)13-10-19-16-7-5-6-15(18)14-16/h5-7,14,19H,3-4,8-13H2,1-2H3
InChIKeyHTELXCZEPSSQLW-UHFFFAOYSA-N
MW278.41 g/mol
LogP4.14
Rot. Bonds6

About N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-fluoroaniline

N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-fluoroaniline (PubChem CID 63503645) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-fluoroaniline
PubChem CID63503645
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC NameN-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-fluoroaniline
SMILESCCC1(CC)CCN(CCNc2cccc(F)c2)CC1
InChIInChI=1S/C17H27FN2/c1-3-17(4-2)8-11-20(12-9-17)13-10-19-16-7-5-6-15(18)14-16/h5-7,14,19H,3-4,8-13H2,1-2H3
InChIKeyHTELXCZEPSSQLW-UHFFFAOYSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-fluoroaniline?
The IUPAC name of N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-fluoroaniline (CID 63503645) is N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-fluoroaniline.
What is the SMILES notation for N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-fluoroaniline?
The canonical SMILES for N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-fluoroaniline is CCC1(CC)CCN(CCNc2cccc(F)c2)CC1.
What is the InChIKey of N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-fluoroaniline?
The InChIKey is HTELXCZEPSSQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-3-17(4-2)8-11-20(12-9-17)13-10-19-16-7-5-6-15(18)14-16/h5-7,14,19H,3-4,8-13H2,1-2H3.
What are the key properties of N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-fluoroaniline?
N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-fluoroaniline has a molecular weight of 278.41 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-fluoroaniline is sourced from PubChem (CID 63503645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).