4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile

C16H17N5 — CID 171149738

IUPAC4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCN(Cc3ccccn3)CC2)ccn1
InChIInChI=1S/C16H17N5/c17-12-15-11-16(4-6-19-15)21-9-7-20(8-10-21)13-14-3-1-2-5-18-14/h1-6,11H,7-10,13H2
InChIKeyZAFWQRIEMWVYHM-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.67
Rot. Bonds3

About 4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile

4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 171149738) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID171149738
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCN(Cc3ccccn3)CC2)ccn1
InChIInChI=1S/C16H17N5/c17-12-15-11-16(4-6-19-15)21-9-7-20(8-10-21)13-14-3-1-2-5-18-14/h1-6,11H,7-10,13H2
InChIKeyZAFWQRIEMWVYHM-UHFFFAOYSA-N
XLogP1.67
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-2-pyridinyl]methanol
CID 131914452
2-chloro-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]benzonitrile
CID 71978279
4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 47092348
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 62491107
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862
4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridine-2-carbonitrile
CID 55205409
[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]methanamine
CID 62299103
4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 62924964
4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride
CID 154825612
4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile
CID 62492159
1-(pyridin-2-ylmethyl)piperidine-4,4-dicarbonitrile
CID 117007901

Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile (CID 171149738) is 4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile is N#Cc1cc(N2CCN(Cc3ccccn3)CC2)ccn1.
What is the InChIKey of 4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is ZAFWQRIEMWVYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c17-12-15-11-16(4-6-19-15)21-9-7-20(8-10-21)13-14-3-1-2-5-18-14/h1-6,11H,7-10,13H2.
What are the key properties of 4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile?
4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 279.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 171149738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).