3-fluoro-5-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile

C15H20FN3 — CID 102819045

IUPAC3-fluoro-5-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile
SMILESCNCCC1CCCCN1c1cc(F)cc(C#N)c1
InChIInChI=1S/C15H20FN3/c1-18-6-5-14-4-2-3-7-19(14)15-9-12(11-17)8-13(16)10-15/h8-10,14,18H,2-7H2,1H3
InChIKeyCSZYZHXHHGKRIR-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.67
Rot. Bonds4

About 3-fluoro-5-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile

3-fluoro-5-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile (PubChem CID 102819045) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 3-fluoro-5-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile
PubChem CID102819045
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name3-fluoro-5-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile
SMILESCNCCC1CCCCN1c1cc(F)cc(C#N)c1
InChIInChI=1S/C15H20FN3/c1-18-6-5-14-4-2-3-7-19(14)15-9-12(11-17)8-13(16)10-15/h8-10,14,18H,2-7H2,1H3
InChIKeyCSZYZHXHHGKRIR-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile?
The IUPAC name of 3-fluoro-5-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile (CID 102819045) is 3-fluoro-5-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile.
What is the SMILES notation for 3-fluoro-5-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile?
The canonical SMILES for 3-fluoro-5-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile is CNCCC1CCCCN1c1cc(F)cc(C#N)c1.
What is the InChIKey of 3-fluoro-5-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile?
The InChIKey is CSZYZHXHHGKRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-18-6-5-14-4-2-3-7-19(14)15-9-12(11-17)8-13(16)10-15/h8-10,14,18H,2-7H2,1H3.
What are the key properties of 3-fluoro-5-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile?
3-fluoro-5-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile has a molecular weight of 261.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile is sourced from PubChem (CID 102819045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).