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

C12H14N4O2 — CID 167864495

IUPAC3-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1N1CCN(C(=O)CO)CC1
InChIInChI=1S/C12H14N4O2/c13-8-10-11(2-1-3-14-10)15-4-6-16(7-5-15)12(18)9-17/h1-3,17H,4-7,9H2
InChIKeyYJWGTDBFFBVIHF-UHFFFAOYSA-N
MW246.27 g/mol
LogP-0.41
Rot. Bonds2

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

3-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 167864495) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID167864495
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1N1CCN(C(=O)CO)CC1
InChIInChI=1S/C12H14N4O2/c13-8-10-11(2-1-3-14-10)15-4-6-16(7-5-15)12(18)9-17/h1-3,17H,4-7,9H2
InChIKeyYJWGTDBFFBVIHF-UHFFFAOYSA-N
XLogP-0.41
TPSA80.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-hydroxyethanone
CID 167825204
3-(1,1-dioxo-1,4-thiazepan-4-yl)pyridine-2-carbonitrile
CID 114083443
3-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 133284357
3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 133283771
3-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 155974260
1-(2-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318434
3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 171993509
1-(2-cyano-3-pyridinyl)-N-cyclopropylazetidine-3-carboxamide
CID 171326516
1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
CID 113079712
N-tert-butyl-1-(2-cyano-3-pyridinyl)pyrrolidine-3-carboxamide
CID 155974197
2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile
CID 2707510
2-[4-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,4-diazepan-1-yl]benzonitrile
CID 60500892

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 3-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carbonitrile (CID 167864495) is 3-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carbonitrile is N#Cc1ncccc1N1CCN(C(=O)CO)CC1.
What is the InChIKey of 3-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is YJWGTDBFFBVIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-8-10-11(2-1-3-14-10)15-4-6-16(7-5-15)12(18)9-17/h1-3,17H,4-7,9H2.
What are the key properties of 3-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carbonitrile?
3-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 246.27 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 167864495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).