fluoromethane;5-(4-piperidin-1-ylpiperidin-1-yl)pyridine-2-carbonitrile

C17H25FN4 — CID 169148651

IUPACfluoromethane;5-(4-piperidin-1-ylpiperidin-1-yl)pyridine-2-carbonitrile
SMILESCF.N#Cc1ccc(N2CCC(N3CCCCC3)CC2)cn1
InChIInChI=1S/C16H22N4.CH3F/c17-12-14-4-5-16(13-18-14)20-10-6-15(7-11-20)19-8-2-1-3-9-19;1-2/h4-5,13,15H,1-3,6-11H2;1H3
InChIKeyYHWZJVUZGTXUMK-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.99
Rot. Bonds2

About fluoromethane;5-(4-piperidin-1-ylpiperidin-1-yl)pyridine-2-carbonitrile

fluoromethane;5-(4-piperidin-1-ylpiperidin-1-yl)pyridine-2-carbonitrile (PubChem CID 169148651) has the molecular formula C17H25FN4 and a molecular weight of 304.41 g/mol. Its IUPAC name is fluoromethane;5-(4-piperidin-1-ylpiperidin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Namefluoromethane;5-(4-piperidin-1-ylpiperidin-1-yl)pyridine-2-carbonitrile
PubChem CID169148651
Molecular FormulaC17H25FN4
Molecular Weight304.41 g/mol
Exact Mass304.21
IUPAC Namefluoromethane;5-(4-piperidin-1-ylpiperidin-1-yl)pyridine-2-carbonitrile
SMILESCF.N#Cc1ccc(N2CCC(N3CCCCC3)CC2)cn1
InChIInChI=1S/C16H22N4.CH3F/c17-12-14-4-5-16(13-18-14)20-10-6-15(7-11-20)19-8-2-1-3-9-19;1-2/h4-5,13,15H,1-3,6-11H2;1H3
InChIKeyYHWZJVUZGTXUMK-UHFFFAOYSA-N
XLogP2.99
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of fluoromethane;5-(4-piperidin-1-ylpiperidin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of fluoromethane;5-(4-piperidin-1-ylpiperidin-1-yl)pyridine-2-carbonitrile (CID 169148651) is fluoromethane;5-(4-piperidin-1-ylpiperidin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for fluoromethane;5-(4-piperidin-1-ylpiperidin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for fluoromethane;5-(4-piperidin-1-ylpiperidin-1-yl)pyridine-2-carbonitrile is CF.N#Cc1ccc(N2CCC(N3CCCCC3)CC2)cn1.
What is the InChIKey of fluoromethane;5-(4-piperidin-1-ylpiperidin-1-yl)pyridine-2-carbonitrile?
The InChIKey is YHWZJVUZGTXUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4.CH3F/c17-12-14-4-5-16(13-18-14)20-10-6-15(7-11-20)19-8-2-1-3-9-19;1-2/h4-5,13,15H,1-3,6-11H2;1H3.
What are the key properties of fluoromethane;5-(4-piperidin-1-ylpiperidin-1-yl)pyridine-2-carbonitrile?
fluoromethane;5-(4-piperidin-1-ylpiperidin-1-yl)pyridine-2-carbonitrile has a molecular weight of 304.41 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;5-(4-piperidin-1-ylpiperidin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 169148651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).