2-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]acetonitrile

C15H19N3O2 — CID 82179354

IUPAC2-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]acetonitrile
SMILESN#CCc1ccccc1C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C15H19N3O2/c16-6-5-13-3-1-2-4-14(13)15(20)18-9-7-17(8-10-18)11-12-19/h1-4,19H,5,7-12H2
InChIKeyBUARIOSTWYSBJG-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.50
Rot. Bonds4

About 2-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]acetonitrile

2-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]acetonitrile (PubChem CID 82179354) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]acetonitrile
PubChem CID82179354
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]acetonitrile
SMILESN#CCc1ccccc1C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C15H19N3O2/c16-6-5-13-3-1-2-4-14(13)15(20)18-9-7-17(8-10-18)11-12-19/h1-4,19H,5,7-12H2
InChIKeyBUARIOSTWYSBJG-UHFFFAOYSA-N
XLogP0.50
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]ethanethioamide
CID 94805632
2-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]benzoic acid
CID 107214390
(2,3-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 114343978
2-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]acetonitrile
CID 94805588
2-[2-(3-methylpiperidine-1-carbonyl)phenyl]acetonitrile
CID 82179345
[4-(4-hydroxybutyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 111750501
[4-(3-hydroxypropyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 82090858
(4-bromophenyl)-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methanone
CID 78842568
2-[4-(2-chlorobenzoyl)piperazin-1-yl]acetonitrile
CID 28705329
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone
CID 63308302
1-[2-(cyanomethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 82179126
(2,4-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43416246

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]acetonitrile?
The IUPAC name of 2-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]acetonitrile (CID 82179354) is 2-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]acetonitrile.
What is the SMILES notation for 2-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]acetonitrile?
The canonical SMILES for 2-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]acetonitrile is N#CCc1ccccc1C(=O)N1CCN(CCO)CC1.
What is the InChIKey of 2-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]acetonitrile?
The InChIKey is BUARIOSTWYSBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-6-5-13-3-1-2-4-14(13)15(20)18-9-7-17(8-10-18)11-12-19/h1-4,19H,5,7-12H2.
What are the key properties of 2-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]acetonitrile?
2-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]acetonitrile has a molecular weight of 273.34 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]acetonitrile is sourced from PubChem (CID 82179354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).