2-(4-acetylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetonitrile

C14H17N3O2 — CID 84757647

IUPAC2-(4-acetylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetonitrile
SMILESCC(=O)N1CCN(C(C#N)c2ccc(O)cc2)CC1
InChIInChI=1S/C14H17N3O2/c1-11(18)16-6-8-17(9-7-16)14(10-15)12-2-4-13(19)5-3-12/h2-5,14,19H,6-9H2,1H3
InChIKeyVVTSGOFYSJMDMS-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.12
Rot. Bonds2

About 2-(4-acetylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetonitrile

2-(4-acetylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetonitrile (PubChem CID 84757647) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetonitrile
PubChem CID84757647
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(4-acetylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetonitrile
SMILESCC(=O)N1CCN(C(C#N)c2ccc(O)cc2)CC1
InChIInChI=1S/C14H17N3O2/c1-11(18)16-6-8-17(9-7-16)14(10-15)12-2-4-13(19)5-3-12/h2-5,14,19H,6-9H2,1H3
InChIKeyVVTSGOFYSJMDMS-UHFFFAOYSA-N
XLogP1.12
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-2-(4-propanoylpiperazin-1-yl)acetonitrile
CID 110349764
2-(4-acetylpiperazin-1-yl)-2-(2-hydroxy-5-methylphenyl)acetonitrile
CID 84757655
2-(4-butanoylpiperazin-1-yl)-2-(4-methylphenyl)acetonitrile
CID 110349765
2-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile
CID 110350418
2-(4-butanoylpiperazin-1-yl)-2-(4-ethylphenyl)acetonitrile
CID 110350349
2-(4-methylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetonitrile
CID 110349768
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluorophenyl)acetonitrile
CID 110349596
2-[4-[cyano-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)acetonitrile
CID 3126730
2-(4-methoxyphenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetonitrile
CID 110349956
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(4-methylphenyl)acetonitrile
CID 110349807
2-(4-fluorophenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetonitrile
CID 110349610
2-(4-chlorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile
CID 110350201

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetonitrile?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetonitrile (CID 84757647) is 2-(4-acetylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetonitrile.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetonitrile?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetonitrile is CC(=O)N1CCN(C(C#N)c2ccc(O)cc2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetonitrile?
The InChIKey is VVTSGOFYSJMDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11(18)16-6-8-17(9-7-16)14(10-15)12-2-4-13(19)5-3-12/h2-5,14,19H,6-9H2,1H3.
What are the key properties of 2-(4-acetylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetonitrile?
2-(4-acetylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetonitrile has a molecular weight of 259.31 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetonitrile is sourced from PubChem (CID 84757647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).