2-[4-[2-(3-hydroxypiperidin-1-yl)acetyl]piperazin-1-yl]-2-phenylacetonitrile

C19H26N4O2 — CID 56805013

IUPAC2-[4-[2-(3-hydroxypiperidin-1-yl)acetyl]piperazin-1-yl]-2-phenylacetonitrile
SMILESN#CC(c1ccccc1)N1CCN(C(=O)CN2CCCC(O)C2)CC1
InChIInChI=1S/C19H26N4O2/c20-13-18(16-5-2-1-3-6-16)22-9-11-23(12-10-22)19(25)15-21-8-4-7-17(24)14-21/h1-3,5-6,17-18,24H,4,7-12,14-15H2
InChIKeyUPZRRJULQGTIGN-UHFFFAOYSA-N
MW342.44 g/mol
LogP0.85
Rot. Bonds4

About 2-[4-[2-(3-hydroxypiperidin-1-yl)acetyl]piperazin-1-yl]-2-phenylacetonitrile

2-[4-[2-(3-hydroxypiperidin-1-yl)acetyl]piperazin-1-yl]-2-phenylacetonitrile (PubChem CID 56805013) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[4-[2-(3-hydroxypiperidin-1-yl)acetyl]piperazin-1-yl]-2-phenylacetonitrile.

Molecular Properties

Compound Name2-[4-[2-(3-hydroxypiperidin-1-yl)acetyl]piperazin-1-yl]-2-phenylacetonitrile
PubChem CID56805013
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[4-[2-(3-hydroxypiperidin-1-yl)acetyl]piperazin-1-yl]-2-phenylacetonitrile
SMILESN#CC(c1ccccc1)N1CCN(C(=O)CN2CCCC(O)C2)CC1
InChIInChI=1S/C19H26N4O2/c20-13-18(16-5-2-1-3-6-16)22-9-11-23(12-10-22)19(25)15-21-8-4-7-17(24)14-21/h1-3,5-6,17-18,24H,4,7-12,14-15H2
InChIKeyUPZRRJULQGTIGN-UHFFFAOYSA-N
XLogP0.85
TPSA70.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[4-[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]piperazin-1-yl]-2-phenylacetonitrile
CID 95621579
(2R)-2-[4-[2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperazin-1-yl]-2-phenylacetonitrile
CID 97125253
2-(3-hydroxypiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 60645203
1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107226024
1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 129367078
1-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 95862187
2-[4-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperazin-1-yl]-2-thiophen-2-ylacetonitrile
CID 75444793
2-[4-(2-hydroxycyclohexyl)piperazin-1-yl]-2-phenylacetonitrile
CID 110883482
2-[4-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperazin-1-yl]-2-phenylacetonitrile
CID 75451615
N-tert-butyl-2-[4-[(S)-cyano(phenyl)methyl]piperazin-1-yl]acetamide
CID 97054745
2-[(3S)-3-hydroxypiperidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 94382593
2-(4-benzhydrylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
CID 57442367

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-hydroxypiperidin-1-yl)acetyl]piperazin-1-yl]-2-phenylacetonitrile?
The IUPAC name of 2-[4-[2-(3-hydroxypiperidin-1-yl)acetyl]piperazin-1-yl]-2-phenylacetonitrile (CID 56805013) is 2-[4-[2-(3-hydroxypiperidin-1-yl)acetyl]piperazin-1-yl]-2-phenylacetonitrile.
What is the SMILES notation for 2-[4-[2-(3-hydroxypiperidin-1-yl)acetyl]piperazin-1-yl]-2-phenylacetonitrile?
The canonical SMILES for 2-[4-[2-(3-hydroxypiperidin-1-yl)acetyl]piperazin-1-yl]-2-phenylacetonitrile is N#CC(c1ccccc1)N1CCN(C(=O)CN2CCCC(O)C2)CC1.
What is the InChIKey of 2-[4-[2-(3-hydroxypiperidin-1-yl)acetyl]piperazin-1-yl]-2-phenylacetonitrile?
The InChIKey is UPZRRJULQGTIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c20-13-18(16-5-2-1-3-6-16)22-9-11-23(12-10-22)19(25)15-21-8-4-7-17(24)14-21/h1-3,5-6,17-18,24H,4,7-12,14-15H2.
What are the key properties of 2-[4-[2-(3-hydroxypiperidin-1-yl)acetyl]piperazin-1-yl]-2-phenylacetonitrile?
2-[4-[2-(3-hydroxypiperidin-1-yl)acetyl]piperazin-1-yl]-2-phenylacetonitrile has a molecular weight of 342.44 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-hydroxypiperidin-1-yl)acetyl]piperazin-1-yl]-2-phenylacetonitrile is sourced from PubChem (CID 56805013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).