1-(pyridin-2-ylmethyl)piperidine-4,4-dicarbonitrile

C13H14N4 — CID 117007901

IUPAC1-(pyridin-2-ylmethyl)piperidine-4,4-dicarbonitrile
SMILESN#CC1(C#N)CCN(Cc2ccccn2)CC1
InChIInChI=1S/C13H14N4/c14-10-13(11-15)4-7-17(8-5-13)9-12-3-1-2-6-16-12/h1-3,6H,4-5,7-9H2
InChIKeyDBTJTVCPJGSBTC-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.71
Rot. Bonds2

About 1-(pyridin-2-ylmethyl)piperidine-4,4-dicarbonitrile

1-(pyridin-2-ylmethyl)piperidine-4,4-dicarbonitrile (PubChem CID 117007901) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)piperidine-4,4-dicarbonitrile.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)piperidine-4,4-dicarbonitrile
PubChem CID117007901
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name1-(pyridin-2-ylmethyl)piperidine-4,4-dicarbonitrile
SMILESN#CC1(C#N)CCN(Cc2ccccn2)CC1
InChIInChI=1S/C13H14N4/c14-10-13(11-15)4-7-17(8-5-13)9-12-3-1-2-6-16-12/h1-3,6H,4-5,7-9H2
InChIKeyDBTJTVCPJGSBTC-UHFFFAOYSA-N
XLogP1.71
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(pyridin-2-ylmethyl)-9-(2-pyrrolidin-1-ylethyl)-3,9-diazaspiro[5.5]undecane
CID 97450332
2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131649183
2-[[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole
CID 97370593
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
3-methylsulfonyl-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97450340
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
N-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
CID 97451205
1'-(pyridin-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 97375615
bis(acetonitrile);1,4-bis(pyridin-2-ylmethyl)-1,4-diazepane;nickel(2+);bis(tetraphenylboranuide)
CID 139171280
4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 171149738
2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97449549

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)piperidine-4,4-dicarbonitrile?
The IUPAC name of 1-(pyridin-2-ylmethyl)piperidine-4,4-dicarbonitrile (CID 117007901) is 1-(pyridin-2-ylmethyl)piperidine-4,4-dicarbonitrile.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)piperidine-4,4-dicarbonitrile?
The canonical SMILES for 1-(pyridin-2-ylmethyl)piperidine-4,4-dicarbonitrile is N#CC1(C#N)CCN(Cc2ccccn2)CC1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)piperidine-4,4-dicarbonitrile?
The InChIKey is DBTJTVCPJGSBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c14-10-13(11-15)4-7-17(8-5-13)9-12-3-1-2-6-16-12/h1-3,6H,4-5,7-9H2.
What are the key properties of 1-(pyridin-2-ylmethyl)piperidine-4,4-dicarbonitrile?
1-(pyridin-2-ylmethyl)piperidine-4,4-dicarbonitrile has a molecular weight of 226.28 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)piperidine-4,4-dicarbonitrile is sourced from PubChem (CID 117007901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).