2-[4-[1-(2-hydroxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile

C19H26N4O2 — CID 74236257

IUPAC2-[4-[1-(2-hydroxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CCN(C(=O)C2CCCN(CCO)C2)CC1
InChIInChI=1S/C19H26N4O2/c20-14-16-4-1-2-6-18(16)22-8-10-23(11-9-22)19(25)17-5-3-7-21(15-17)12-13-24/h1-2,4,6,17,24H,3,5,7-13,15H2
InChIKeyIXGQJBFMDLDBEJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP0.91
Rot. Bonds4

About 2-[4-[1-(2-hydroxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile

2-[4-[1-(2-hydroxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile (PubChem CID 74236257) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[4-[1-(2-hydroxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-[1-(2-hydroxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile
PubChem CID74236257
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[4-[1-(2-hydroxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CCN(C(=O)C2CCCN(CCO)C2)CC1
InChIInChI=1S/C19H26N4O2/c20-14-16-4-1-2-6-18(16)22-8-10-23(11-9-22)19(25)17-5-3-7-21(15-17)12-13-24/h1-2,4,6,17,24H,3,5,7-13,15H2
InChIKeyIXGQJBFMDLDBEJ-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[1-(2-methoxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile
CID 74250243
2-[4-[(2S)-1-methylazepane-2-carbonyl]piperazin-1-yl]benzonitrile
CID 97203883
2-[4-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 94114980
2-[[4-(1-methylpiperidine-3-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 137334393
methyl 1-(2-cyanophenyl)piperidine-3-carboxylate
CID 78920451
1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55813432
2-[4-(1-methylpiperidine-2-carbonyl)piperazin-1-yl]benzonitrile;2,2,2-trifluoroacetic acid
CID 163340375
2-(4-acetylpiperazin-1-yl)benzonitrile;ethane
CID 143432462
azepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone
CID 2930874
ethyl 1-(2-cyanophenyl)piperidine-3-carboxylate
CID 43180301
1-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 47988393
4-[4-(2-cyanophenyl)piperazin-1-yl]butanamide
CID 68545719

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-hydroxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile?
The IUPAC name of 2-[4-[1-(2-hydroxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile (CID 74236257) is 2-[4-[1-(2-hydroxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-[4-[1-(2-hydroxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile?
The canonical SMILES for 2-[4-[1-(2-hydroxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile is N#Cc1ccccc1N1CCN(C(=O)C2CCCN(CCO)C2)CC1.
What is the InChIKey of 2-[4-[1-(2-hydroxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile?
The InChIKey is IXGQJBFMDLDBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c20-14-16-4-1-2-6-18(16)22-8-10-23(11-9-22)19(25)17-5-3-7-21(15-17)12-13-24/h1-2,4,6,17,24H,3,5,7-13,15H2.
What are the key properties of 2-[4-[1-(2-hydroxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile?
2-[4-[1-(2-hydroxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile has a molecular weight of 342.44 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-hydroxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile is sourced from PubChem (CID 74236257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).