2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile

C14H20N4O2 — CID 111432773

IUPAC2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(CCOCCO)CC1
InChIInChI=1S/C14H20N4O2/c15-12-13-2-1-3-16-14(13)18-6-4-17(5-7-18)8-10-20-11-9-19/h1-3,19H,4-11H2
InChIKeyIWMNLNIDYNXCQN-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.08
Rot. Bonds6

About 2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile

2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 111432773) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID111432773
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(CCOCCO)CC1
InChIInChI=1S/C14H20N4O2/c15-12-13-2-1-3-16-14(13)18-6-4-17(5-7-18)8-10-20-11-9-19/h1-3,19H,4-11H2
InChIKeyIWMNLNIDYNXCQN-UHFFFAOYSA-N
XLogP0.08
TPSA72.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 35957748
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 31618852
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 134031869
2-thiomorpholin-4-ylpyridine-3-carbonitrile
CID 28787469
2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]benzonitrile
CID 175765241
2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 110897687
methyl 2-[[4-(3-cyano-2-pyridinyl)piperazin-1-yl]methyl]benzoate
CID 122157758
3-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 134031904
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 91841684
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 10337040
2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 110397273
2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]pyridin-3-amine
CID 61490854

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 111432773) is 2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCN(CCOCCO)CC1.
What is the InChIKey of 2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is IWMNLNIDYNXCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c15-12-13-2-1-3-16-14(13)18-6-4-17(5-7-18)8-10-20-11-9-19/h1-3,19H,4-11H2.
What are the key properties of 2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 276.34 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 111432773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).