5-fluoro-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile

C15H20FN3 — CID 79716523

IUPAC5-fluoro-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
SMILESCN(Cc1ccc(F)cc1C#N)CC1CCNCC1
InChIInChI=1S/C15H20FN3/c1-19(10-12-4-6-18-7-5-12)11-13-2-3-15(16)8-14(13)9-17/h2-3,8,12,18H,4-7,10-11H2,1H3
InChIKeyDIMUXWBXWVDQJV-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.13
Rot. Bonds4

About 5-fluoro-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile

5-fluoro-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile (PubChem CID 79716523) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 5-fluoro-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
PubChem CID79716523
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name5-fluoro-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
SMILESCN(Cc1ccc(F)cc1C#N)CC1CCNCC1
InChIInChI=1S/C15H20FN3/c1-19(10-12-4-6-18-7-5-12)11-13-2-3-15(16)8-14(13)9-17/h2-3,8,12,18H,4-7,10-11H2,1H3
InChIKeyDIMUXWBXWVDQJV-UHFFFAOYSA-N
XLogP2.13
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile?
The IUPAC name of 5-fluoro-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile (CID 79716523) is 5-fluoro-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile.
What is the SMILES notation for 5-fluoro-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile?
The canonical SMILES for 5-fluoro-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile is CN(Cc1ccc(F)cc1C#N)CC1CCNCC1.
What is the InChIKey of 5-fluoro-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile?
The InChIKey is DIMUXWBXWVDQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-19(10-12-4-6-18-7-5-12)11-13-2-3-15(16)8-14(13)9-17/h2-3,8,12,18H,4-7,10-11H2,1H3.
What are the key properties of 5-fluoro-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile?
5-fluoro-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile has a molecular weight of 261.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile is sourced from PubChem (CID 79716523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).