2-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetonitrile

C15H21N3O — CID 82135676

IUPAC2-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetonitrile
SMILESN#CCc1ccc(CN2CCN(CCO)CC2)cc1
InChIInChI=1S/C15H21N3O/c16-6-5-14-1-3-15(4-2-14)13-18-9-7-17(8-10-18)11-12-19/h1-4,19H,5,7-13H2
InChIKeyZSABDBYEBIUDFO-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.86
Rot. Bonds5

About 2-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetonitrile

2-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetonitrile (PubChem CID 82135676) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetonitrile
PubChem CID82135676
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetonitrile
SMILESN#CCc1ccc(CN2CCN(CCO)CC2)cc1
InChIInChI=1S/C15H21N3O/c16-6-5-14-1-3-15(4-2-14)13-18-9-7-17(8-10-18)11-12-19/h1-4,19H,5,7-13H2
InChIKeyZSABDBYEBIUDFO-UHFFFAOYSA-N
XLogP0.86
TPSA50.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 780027
2-[4-[[4-(aminooxymethyl)phenyl]methyl]piperazin-1-yl]ethanol
CID 67132134
2-[4-[[4-(2-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethanol
CID 18798287
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 82187897
2-[4-[(3,4-diaminophenyl)methyl]piperazin-1-yl]ethanol
CID 82183767
2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]acetonitrile
CID 94722706
4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434293
2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 110888313
2-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol
CID 754265
2-[4-[(6-amino-3-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 55046739
2-[4-[[4-(3,4-dimethylphenoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 91774740
3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propanenitrile
CID 51075570

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetonitrile?
The IUPAC name of 2-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetonitrile (CID 82135676) is 2-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetonitrile is N#CCc1ccc(CN2CCN(CCO)CC2)cc1.
What is the InChIKey of 2-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetonitrile?
The InChIKey is ZSABDBYEBIUDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-6-5-14-1-3-15(4-2-14)13-18-9-7-17(8-10-18)11-12-19/h1-4,19H,5,7-13H2.
What are the key properties of 2-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetonitrile?
2-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetonitrile has a molecular weight of 259.35 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetonitrile is sourced from PubChem (CID 82135676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).