2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]propanenitrile

C15H19N3O2 — CID 107671430

IUPAC2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]propanenitrile
SMILESCc1cc(O)ccc1C(=O)N1CCN(C(C)C#N)CC1
InChIInChI=1S/C15H19N3O2/c1-11-9-13(19)3-4-14(11)15(20)18-7-5-17(6-8-18)12(2)10-16/h3-4,9,12,19H,5-8H2,1-2H3
InChIKeyZNHHJDOJEOBUIS-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.37
Rot. Bonds2

About 2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]propanenitrile

2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]propanenitrile (PubChem CID 107671430) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]propanenitrile
PubChem CID107671430
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]propanenitrile
SMILESCc1cc(O)ccc1C(=O)N1CCN(C(C)C#N)CC1
InChIInChI=1S/C15H19N3O2/c1-11-9-13(19)3-4-14(11)15(20)18-7-5-17(6-8-18)12(2)10-16/h3-4,9,12,19H,5-8H2,1-2H3
InChIKeyZNHHJDOJEOBUIS-UHFFFAOYSA-N
XLogP1.37
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,4-dihydroxybenzoyl)piperazin-1-yl]propanenitrile
CID 107722008
2-[4-(2-hydroxybenzoyl)piperazin-1-yl]propanenitrile
CID 63337799
2-[4-(4-chloro-2-hydroxybenzoyl)piperazin-1-yl]propanenitrile
CID 63337723
(4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 103863563
2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]propanenitrile
CID 63337547
2-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]propanenitrile
CID 63337718
[4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107672038
[4-(1-chloroethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107673269
2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]propanenitrile
CID 63337633
1-(4-hydroxy-2-methylbenzoyl)-4-methylsulfanylpiperidine-4-carbonitrile
CID 107671436
2-[4-(4-ethylbenzoyl)piperazin-1-yl]propanenitrile
CID 63337287
2-[4-(3-chloro-5-methylbenzoyl)piperazin-1-yl]propanenitrile
CID 81323569

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]propanenitrile?
The IUPAC name of 2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]propanenitrile (CID 107671430) is 2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]propanenitrile is Cc1cc(O)ccc1C(=O)N1CCN(C(C)C#N)CC1.
What is the InChIKey of 2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]propanenitrile?
The InChIKey is ZNHHJDOJEOBUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-9-13(19)3-4-14(11)15(20)18-7-5-17(6-8-18)12(2)10-16/h3-4,9,12,19H,5-8H2,1-2H3.
What are the key properties of 2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]propanenitrile?
2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]propanenitrile has a molecular weight of 273.34 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]propanenitrile is sourced from PubChem (CID 107671430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).