2-(1-piperazin-1-ylethoxy)acetonitrile

C8H15N3O — CID 140993597

IUPAC2-(1-piperazin-1-ylethoxy)acetonitrile
SMILESCC(OCC#N)N1CCNCC1
InChIInChI=1S/C8H15N3O/c1-8(12-7-2-9)11-5-3-10-4-6-11/h8,10H,3-7H2,1H3
InChIKeyXVTCXKZEYKMRTO-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.22
Rot. Bonds3

About 2-(1-piperazin-1-ylethoxy)acetonitrile

2-(1-piperazin-1-ylethoxy)acetonitrile (PubChem CID 140993597) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-(1-piperazin-1-ylethoxy)acetonitrile.

Molecular Properties

Compound Name2-(1-piperazin-1-ylethoxy)acetonitrile
PubChem CID140993597
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-(1-piperazin-1-ylethoxy)acetonitrile
SMILESCC(OCC#N)N1CCNCC1
InChIInChI=1S/C8H15N3O/c1-8(12-7-2-9)11-5-3-10-4-6-11/h8,10H,3-7H2,1H3
InChIKeyXVTCXKZEYKMRTO-UHFFFAOYSA-N
XLogP-0.22
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-piperazin-1-ylbutanenitrile
CID 82503061
1-propan-2-ylpiperazine;vanadium
CID 162375922
1-(1-methoxypropan-2-yl)piperazine;dihydrochloride
CID 50988385
1-(1-iodopropan-2-yl)piperazine
CID 69349965
3-(3-piperazin-1-ylazetidin-1-yl)butanenitrile
CID 66196757
N-(1-cyanopropan-2-yl)-N-methyl-2-piperazin-1-ylpropanamide
CID 55174159
2-(1-piperazin-1-ylethoxy)propanoic acid;dihydrochloride
CID 158208756
diethoxy-(1-piperazin-1-ylethoxy)-propylsilane
CID 175420887
cyanamide;cyclopentane;1-hexan-2-ylpiperazine
CID 143761748
ethoxy-methyl-(1-piperazin-1-ylethoxy)-propylsilane
CID 175455488
1-[1-[(3-phenoxyphenyl)methoxy]ethyl]piperazine
CID 67898623
1-[(Z)-pent-3-en-2-yl]piperazine
CID 70169405

Frequently Asked Questions

What is the IUPAC name of 2-(1-piperazin-1-ylethoxy)acetonitrile?
The IUPAC name of 2-(1-piperazin-1-ylethoxy)acetonitrile (CID 140993597) is 2-(1-piperazin-1-ylethoxy)acetonitrile.
What is the SMILES notation for 2-(1-piperazin-1-ylethoxy)acetonitrile?
The canonical SMILES for 2-(1-piperazin-1-ylethoxy)acetonitrile is CC(OCC#N)N1CCNCC1.
What is the InChIKey of 2-(1-piperazin-1-ylethoxy)acetonitrile?
The InChIKey is XVTCXKZEYKMRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-8(12-7-2-9)11-5-3-10-4-6-11/h8,10H,3-7H2,1H3.
What are the key properties of 2-(1-piperazin-1-ylethoxy)acetonitrile?
2-(1-piperazin-1-ylethoxy)acetonitrile has a molecular weight of 169.23 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperazin-1-ylethoxy)acetonitrile is sourced from PubChem (CID 140993597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).