fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile

C16H23FN4 — CID 169148538

IUPACfluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
SMILESCF.N#Cc1ccc(N2CCC(N3CCCC3)CC2)nc1
InChIInChI=1S/C15H20N4.CH3F/c16-11-13-3-4-15(17-12-13)19-9-5-14(6-10-19)18-7-1-2-8-18;1-2/h3-4,12,14H,1-2,5-10H2;1H3
InChIKeyYSIJSDLETPLJIT-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.60
Rot. Bonds2

About fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile

fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile (PubChem CID 169148538) has the molecular formula C16H23FN4 and a molecular weight of 290.39 g/mol. Its IUPAC name is fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Namefluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
PubChem CID169148538
Molecular FormulaC16H23FN4
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Namefluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
SMILESCF.N#Cc1ccc(N2CCC(N3CCCC3)CC2)nc1
InChIInChI=1S/C15H20N4.CH3F/c16-11-13-3-4-15(17-12-13)19-9-5-14(6-10-19)18-7-1-2-8-18;1-2/h3-4,12,14H,1-2,5-10H2;1H3
InChIKeyYSIJSDLETPLJIT-UHFFFAOYSA-N
XLogP2.60
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 62045126
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 166602960
6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridine-3-carbonitrile
CID 126891739
2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile
CID 61242795
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335504
fluoromethane;5-(4-piperidin-1-ylpiperidin-1-yl)pyridine-2-carbonitrile
CID 169148651
4-[2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-5-yl]benzonitrile
CID 11348597
6-(3-morpholin-4-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 172899261

Frequently Asked Questions

What is the IUPAC name of fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile (CID 169148538) is fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile is CF.N#Cc1ccc(N2CCC(N3CCCC3)CC2)nc1.
What is the InChIKey of fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is YSIJSDLETPLJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4.CH3F/c16-11-13-3-4-15(17-12-13)19-9-5-14(6-10-19)18-7-1-2-8-18;1-2/h3-4,12,14H,1-2,5-10H2;1H3.
What are the key properties of fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile?
fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile has a molecular weight of 290.39 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 169148538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).