2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetonitrile

C11H21N3O — CID 95333035

IUPAC2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetonitrile
SMILESCC[C@@H]1CN(CC#N)CCN1CCOC
InChIInChI=1S/C11H21N3O/c1-3-11-10-13(5-4-12)6-7-14(11)8-9-15-2/h11H,3,5-10H2,1-2H3/t11-/m1/s1
InChIKeyZDYQYULQIVUCNM-LLVKDONJSA-N
MW211.31 g/mol
LogP0.55
Rot. Bonds5

About 2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetonitrile

2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetonitrile (PubChem CID 95333035) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetonitrile
PubChem CID95333035
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetonitrile
SMILESCC[C@@H]1CN(CC#N)CCN1CCOC
InChIInChI=1S/C11H21N3O/c1-3-11-10-13(5-4-12)6-7-14(11)8-9-15-2/h11H,3,5-10H2,1-2H3/t11-/m1/s1
InChIKeyZDYQYULQIVUCNM-LLVKDONJSA-N
XLogP0.55
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetonitrile?
The IUPAC name of 2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetonitrile (CID 95333035) is 2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetonitrile.
What is the SMILES notation for 2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetonitrile?
The canonical SMILES for 2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetonitrile is CC[C@@H]1CN(CC#N)CCN1CCOC.
What is the InChIKey of 2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetonitrile?
The InChIKey is ZDYQYULQIVUCNM-LLVKDONJSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-11-10-13(5-4-12)6-7-14(11)8-9-15-2/h11H,3,5-10H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetonitrile?
2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetonitrile has a molecular weight of 211.31 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetonitrile is sourced from PubChem (CID 95333035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).