1-(3-ethoxy-2-hydroxypropyl)piperazine-2-carbonitrile

C10H19N3O2 — CID 79085659

IUPAC1-(3-ethoxy-2-hydroxypropyl)piperazine-2-carbonitrile
SMILESCCOCC(O)CN1CCNCC1C#N
InChIInChI=1S/C10H19N3O2/c1-2-15-8-10(14)7-13-4-3-12-6-9(13)5-11/h9-10,12,14H,2-4,6-8H2,1H3
InChIKeyJLBYKPKPSDQVDA-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.82
Rot. Bonds5

About 1-(3-ethoxy-2-hydroxypropyl)piperazine-2-carbonitrile

1-(3-ethoxy-2-hydroxypropyl)piperazine-2-carbonitrile (PubChem CID 79085659) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(3-ethoxy-2-hydroxypropyl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(3-ethoxy-2-hydroxypropyl)piperazine-2-carbonitrile
PubChem CID79085659
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-(3-ethoxy-2-hydroxypropyl)piperazine-2-carbonitrile
SMILESCCOCC(O)CN1CCNCC1C#N
InChIInChI=1S/C10H19N3O2/c1-2-15-8-10(14)7-13-4-3-12-6-9(13)5-11/h9-10,12,14H,2-4,6-8H2,1H3
InChIKeyJLBYKPKPSDQVDA-UHFFFAOYSA-N
XLogP-0.82
TPSA68.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-2-carbonitrile
CID 79086114
1-[(2S)-2-hydroxypropyl]piperazine-2-carbonitrile
CID 106933588
1-(2-methylpropyl)piperazine-2-carbonitrile
CID 79085427
ethyl 2-(2-cyanopiperazin-1-yl)acetate
CID 79085208
2-(2-cyanopiperazin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 79085658
1-(2-hydroxyethyl)piperazine-2-carbonitrile
CID 79085109
1-(2-hydroxy-2-methylpropyl)piperazine-2-carbonitrile
CID 79085872
1-(2-propan-2-yloxyethyl)piperazine-2-carbonitrile
CID 79084934
1-(3-butoxy-2-hydroxypropyl)piperazine-2-carboxylic acid
CID 107264189
N-butan-2-yl-2-(2-cyanopiperazin-1-yl)acetamide
CID 79085462
1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carbonitrile
CID 82892035
1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazine-2-carbonitrile
CID 79085240

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-2-hydroxypropyl)piperazine-2-carbonitrile?
The IUPAC name of 1-(3-ethoxy-2-hydroxypropyl)piperazine-2-carbonitrile (CID 79085659) is 1-(3-ethoxy-2-hydroxypropyl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(3-ethoxy-2-hydroxypropyl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(3-ethoxy-2-hydroxypropyl)piperazine-2-carbonitrile is CCOCC(O)CN1CCNCC1C#N.
What is the InChIKey of 1-(3-ethoxy-2-hydroxypropyl)piperazine-2-carbonitrile?
The InChIKey is JLBYKPKPSDQVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-2-15-8-10(14)7-13-4-3-12-6-9(13)5-11/h9-10,12,14H,2-4,6-8H2,1H3.
What are the key properties of 1-(3-ethoxy-2-hydroxypropyl)piperazine-2-carbonitrile?
1-(3-ethoxy-2-hydroxypropyl)piperazine-2-carbonitrile has a molecular weight of 213.28 g/mol, XLogP of -0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2-hydroxypropyl)piperazine-2-carbonitrile is sourced from PubChem (CID 79085659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).