2-[4-(pyridin-4-ylamino)piperidin-1-yl]acetonitrile

C12H16N4 — CID 63626617

IUPAC2-[4-(pyridin-4-ylamino)piperidin-1-yl]acetonitrile
SMILESN#CCN1CCC(Nc2ccncc2)CC1
InChIInChI=1S/C12H16N4/c13-5-10-16-8-3-12(4-9-16)15-11-1-6-14-7-2-11/h1-2,6-7,12H,3-4,8-10H2,(H,14,15)
InChIKeyYKSYSBOBYANGEG-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.48
Rot. Bonds3

About 2-[4-(pyridin-4-ylamino)piperidin-1-yl]acetonitrile

2-[4-(pyridin-4-ylamino)piperidin-1-yl]acetonitrile (PubChem CID 63626617) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-[4-(pyridin-4-ylamino)piperidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(pyridin-4-ylamino)piperidin-1-yl]acetonitrile
PubChem CID63626617
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-[4-(pyridin-4-ylamino)piperidin-1-yl]acetonitrile
SMILESN#CCN1CCC(Nc2ccncc2)CC1
InChIInChI=1S/C12H16N4/c13-5-10-16-8-3-12(4-9-16)15-11-1-6-14-7-2-11/h1-2,6-7,12H,3-4,8-10H2,(H,14,15)
InChIKeyYKSYSBOBYANGEG-UHFFFAOYSA-N
XLogP1.48
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-(1-ethylpyrrolidin-3-yl)pyridin-4-amine
CID 131114952
2-[4-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]acetonitrile
CID 79556884
2-[4-[(4-methyl-2-pyridinyl)amino]piperidin-1-yl]acetonitrile
CID 63626089
2-[4-[(5-iodopyrimidin-2-yl)amino]piperidin-1-yl]acetonitrile
CID 104843729
2-[4-[(4-methyl-3-oxopyrazin-2-yl)amino]piperidin-1-yl]acetonitrile
CID 63625920
2-[4-[(4-bromo-1,3-thiazol-2-yl)amino]piperidin-1-yl]acetonitrile
CID 79398849
2-[4-(cinnolin-4-ylamino)piperidin-1-yl]acetonitrile
CID 63626257
4-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile
CID 62924829
4-[[1-(cyanomethyl)piperidin-4-yl]amino]-3-fluorobenzonitrile
CID 63626255
4-bromo-2-[[1-(cyanomethyl)piperidin-4-yl]amino]benzonitrile
CID 114901231
N-(4-chlorocyclohexyl)pyridin-4-amine
CID 65027641
2-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]acetonitrile
CID 55248845

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-4-ylamino)piperidin-1-yl]acetonitrile?
The IUPAC name of 2-[4-(pyridin-4-ylamino)piperidin-1-yl]acetonitrile (CID 63626617) is 2-[4-(pyridin-4-ylamino)piperidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(pyridin-4-ylamino)piperidin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(pyridin-4-ylamino)piperidin-1-yl]acetonitrile is N#CCN1CCC(Nc2ccncc2)CC1.
What is the InChIKey of 2-[4-(pyridin-4-ylamino)piperidin-1-yl]acetonitrile?
The InChIKey is YKSYSBOBYANGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c13-5-10-16-8-3-12(4-9-16)15-11-1-6-14-7-2-11/h1-2,6-7,12H,3-4,8-10H2,(H,14,15).
What are the key properties of 2-[4-(pyridin-4-ylamino)piperidin-1-yl]acetonitrile?
2-[4-(pyridin-4-ylamino)piperidin-1-yl]acetonitrile has a molecular weight of 216.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-4-ylamino)piperidin-1-yl]acetonitrile is sourced from PubChem (CID 63626617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).