1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]-N-methylmethanamine

C14H22FN3 — CID 83124667

IUPAC1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(C(C)c2ccc(F)cn2)CC1
InChIInChI=1S/C14H22FN3/c1-11(14-4-3-13(15)10-17-14)18-7-5-12(6-8-18)9-16-2/h3-4,10-12,16H,5-9H2,1-2H3
InChIKeyARWWXMSAJQFVLD-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.21
Rot. Bonds4

About 1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]-N-methylmethanamine

1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]-N-methylmethanamine (PubChem CID 83124667) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]-N-methylmethanamine
PubChem CID83124667
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(C(C)c2ccc(F)cn2)CC1
InChIInChI=1S/C14H22FN3/c1-11(14-4-3-13(15)10-17-14)18-7-5-12(6-8-18)9-16-2/h3-4,10-12,16H,5-9H2,1-2H3
InChIKeyARWWXMSAJQFVLD-UHFFFAOYSA-N
XLogP2.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]-N-methylmethanamine (CID 83124667) is 1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(C(C)c2ccc(F)cn2)CC1.
What is the InChIKey of 1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]-N-methylmethanamine?
The InChIKey is ARWWXMSAJQFVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-11(14-4-3-13(15)10-17-14)18-7-5-12(6-8-18)9-16-2/h3-4,10-12,16H,5-9H2,1-2H3.
What are the key properties of 1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]-N-methylmethanamine?
1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]-N-methylmethanamine has a molecular weight of 251.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 83124667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).