3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropanenitrile

C16H22N2O2 — CID 82696688

IUPAC3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropanenitrile
SMILESN#CC(CN1CCC(OCCO)CC1)c1ccccc1
InChIInChI=1S/C16H22N2O2/c17-12-15(14-4-2-1-3-5-14)13-18-8-6-16(7-9-18)20-11-10-19/h1-5,15-16,19H,6-11,13H2
InChIKeyUKLRIKNRLZYMOL-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.77
Rot. Bonds6

About 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropanenitrile

3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropanenitrile (PubChem CID 82696688) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropanenitrile
PubChem CID82696688
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropanenitrile
SMILESN#CC(CN1CCC(OCCO)CC1)c1ccccc1
InChIInChI=1S/C16H22N2O2/c17-12-15(14-4-2-1-3-5-14)13-18-8-6-16(7-9-18)20-11-10-19/h1-5,15-16,19H,6-11,13H2
InChIKeyUKLRIKNRLZYMOL-UHFFFAOYSA-N
XLogP1.77
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(3-aminopropoxy)piperidin-1-yl]-2-phenylpropanenitrile
CID 79737027
1-(2-cyano-2-phenylethyl)piperidine-4-carboxamide
CID 64535939
3-[(3R)-3-aminopyrrolidin-1-yl]-2-phenylpropanenitrile
CID 115302064
3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylpropanenitrile
CID 64537868
3-(5-oxo-1,4-diazepan-1-yl)-2-phenylpropanenitrile
CID 64535956
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-phenylpropan-1-one
CID 82691756
3-(2-cyclohexyloxyethylamino)-2-phenylpropanenitrile
CID 64538669
3-(3-ethylpiperidin-1-yl)-2-phenylpropanenitrile
CID 64536940
2-(1-benzhydrylazetidin-3-yl)oxyethanol
CID 142434667
1-(3-chlorophenyl)-3-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-ol
CID 82685637
2-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]oxyethanol
CID 115883414
ethyl (3S)-1-(2-cyano-2-phenylethyl)piperidine-3-carboxylate
CID 115536524

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropanenitrile?
The IUPAC name of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropanenitrile (CID 82696688) is 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropanenitrile.
What is the SMILES notation for 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropanenitrile?
The canonical SMILES for 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropanenitrile is N#CC(CN1CCC(OCCO)CC1)c1ccccc1.
What is the InChIKey of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropanenitrile?
The InChIKey is UKLRIKNRLZYMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-12-15(14-4-2-1-3-5-14)13-18-8-6-16(7-9-18)20-11-10-19/h1-5,15-16,19H,6-11,13H2.
What are the key properties of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropanenitrile?
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropanenitrile has a molecular weight of 274.36 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropanenitrile is sourced from PubChem (CID 82696688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).