1-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-N,N-dimethylmethanamine

C16H25FN2O — CID 57047801

IUPAC1-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCCN1CCOc1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-18(2)13-15-5-3-4-10-19(15)11-12-20-16-8-6-14(17)7-9-16/h6-9,15H,3-5,10-13H2,1-2H3
InChIKeyQIOUFAGLOQOPSY-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.62
Rot. Bonds6

About 1-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-N,N-dimethylmethanamine

1-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 57047801) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-N,N-dimethylmethanamine
PubChem CID57047801
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCCN1CCOc1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-18(2)13-15-5-3-4-10-19(15)11-12-20-16-8-6-14(17)7-9-16/h6-9,15H,3-5,10-13H2,1-2H3
InChIKeyQIOUFAGLOQOPSY-UHFFFAOYSA-N
XLogP2.62
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-N,N-dimethylmethanamine (CID 57047801) is 1-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-N,N-dimethylmethanamine is CN(C)CC1CCCCN1CCOc1ccc(F)cc1.
What is the InChIKey of 1-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is QIOUFAGLOQOPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-18(2)13-15-5-3-4-10-19(15)11-12-20-16-8-6-14(17)7-9-16/h6-9,15H,3-5,10-13H2,1-2H3.
What are the key properties of 1-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-N,N-dimethylmethanamine?
1-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 280.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 57047801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).