2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile

C16H22N4 — CID 61242795

IUPAC2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C16H22N4/c17-13-14-4-7-18-16(12-14)20-10-5-15(6-11-20)19-8-2-1-3-9-19/h4,7,12,15H,1-3,5-6,8-11H2
InChIKeyPWZBGTSGGIGZPP-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.41
Rot. Bonds2

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

2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile (PubChem CID 61242795) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile
PubChem CID61242795
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C16H22N4/c17-13-14-4-7-18-16(12-14)20-10-5-15(6-11-20)19-8-2-1-3-9-19/h4,7,12,15H,1-3,5-6,8-11H2
InChIKeyPWZBGTSGGIGZPP-UHFFFAOYSA-N
XLogP2.41
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile
CID 95402787
2-[4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile
CID 56879348
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile
CID 79170700
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile
CID 43620425
1-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56878526
fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 169148538
2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 54986436
4-[2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-5-yl]benzonitrile
CID 11348597
2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 80551978
2-[4-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]piperidin-1-yl]pyridine-4-carbonitrile
CID 25011858
2-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile
CID 97186777
methyl 1-(4-cyano-2-pyridinyl)piperidine-4-carboxylate;methyl piperidine-4-carboxylate
CID 175877412

Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile (CID 61242795) is 2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile is N#Cc1ccnc(N2CCC(N3CCCCC3)CC2)c1.
What is the InChIKey of 2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile?
The InChIKey is PWZBGTSGGIGZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c17-13-14-4-7-18-16(12-14)20-10-5-15(6-11-20)19-8-2-1-3-9-19/h4,7,12,15H,1-3,5-6,8-11H2.
What are the key properties of 2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile?
2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile has a molecular weight of 270.38 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 61242795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).