2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-6-fluorobenzonitrile

C14H18FN3O — CID 112622861

IUPAC2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-6-fluorobenzonitrile
SMILESCOC1CCN(c2cccc(F)c2C#N)C(CN)C1
InChIInChI=1S/C14H18FN3O/c1-19-11-5-6-18(10(7-11)8-16)14-4-2-3-13(15)12(14)9-17/h2-4,10-11H,5-8,16H2,1H3
InChIKeyHJPLZHFRFIQIOF-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.64
Rot. Bonds3

About 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-6-fluorobenzonitrile

2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-6-fluorobenzonitrile (PubChem CID 112622861) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-6-fluorobenzonitrile
PubChem CID112622861
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-6-fluorobenzonitrile
SMILESCOC1CCN(c2cccc(F)c2C#N)C(CN)C1
InChIInChI=1S/C14H18FN3O/c1-19-11-5-6-18(10(7-11)8-16)14-4-2-3-13(15)12(14)9-17/h2-4,10-11H,5-8,16H2,1H3
InChIKeyHJPLZHFRFIQIOF-UHFFFAOYSA-N
XLogP1.64
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-6-fluorobenzonitrile?
The IUPAC name of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-6-fluorobenzonitrile (CID 112622861) is 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-6-fluorobenzonitrile?
The canonical SMILES for 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-6-fluorobenzonitrile is COC1CCN(c2cccc(F)c2C#N)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-6-fluorobenzonitrile?
The InChIKey is HJPLZHFRFIQIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-19-11-5-6-18(10(7-11)8-16)14-4-2-3-13(15)12(14)9-17/h2-4,10-11H,5-8,16H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-6-fluorobenzonitrile?
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-6-fluorobenzonitrile has a molecular weight of 263.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-6-fluorobenzonitrile is sourced from PubChem (CID 112622861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).