4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzonitrile

C15H19N3O2 — CID 62025688

IUPAC4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzonitrile
SMILESN#Cc1ccc(C(=O)CN2CCN(CCO)CC2)cc1
InChIInChI=1S/C15H19N3O2/c16-11-13-1-3-14(4-2-13)15(20)12-18-7-5-17(6-8-18)9-10-19/h1-4,19H,5-10,12H2
InChIKeyVCNBUZDCRPJYEO-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.35
Rot. Bonds5

About 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzonitrile

4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzonitrile (PubChem CID 62025688) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzonitrile
PubChem CID62025688
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzonitrile
SMILESN#Cc1ccc(C(=O)CN2CCN(CCO)CC2)cc1
InChIInChI=1S/C15H19N3O2/c16-11-13-1-3-14(4-2-13)15(20)12-18-7-5-17(6-8-18)9-10-19/h1-4,19H,5-10,12H2
InChIKeyVCNBUZDCRPJYEO-UHFFFAOYSA-N
XLogP0.35
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxyphenyl)ethanone
CID 60680749
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone
CID 3328297
4-[2-[4-(cyclopropylmethyl)piperazin-1-yl]acetyl]benzonitrile
CID 61445688
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 62025523
1-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 107223613
4-[2-(1,4-oxazepan-4-yl)acetyl]benzonitrile
CID 62973437
1-[2-(4-cyanophenyl)-2-oxoethyl]piperidine-4-carboxamide
CID 43228110
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-propylphenyl)ethanone
CID 62024063
1-(4-ethylphenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 107223659
4-[2-(4-methylazepan-1-yl)acetyl]benzonitrile
CID 63622996
4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]benzonitrile
CID 107228070
1-(3,4-dihydroxyphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 163483598

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzonitrile?
The IUPAC name of 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzonitrile (CID 62025688) is 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzonitrile.
What is the SMILES notation for 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzonitrile?
The canonical SMILES for 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzonitrile is N#Cc1ccc(C(=O)CN2CCN(CCO)CC2)cc1.
What is the InChIKey of 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzonitrile?
The InChIKey is VCNBUZDCRPJYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-11-13-1-3-14(4-2-13)15(20)12-18-7-5-17(6-8-18)9-10-19/h1-4,19H,5-10,12H2.
What are the key properties of 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzonitrile?
4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzonitrile has a molecular weight of 273.34 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzonitrile is sourced from PubChem (CID 62025688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).