2-(3-hydroxyazetidin-3-yl)piperidine-2-carbonitrile

C9H15N3O — CID 142577150

IUPAC2-(3-hydroxyazetidin-3-yl)piperidine-2-carbonitrile
SMILESN#CC1(C2(O)CNC2)CCCCN1
InChIInChI=1S/C9H15N3O/c10-5-8(3-1-2-4-12-8)9(13)6-11-7-9/h11-13H,1-4,6-7H2
InChIKeyGUTVCRSNPRVGKF-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.64
Rot. Bonds1

About 2-(3-hydroxyazetidin-3-yl)piperidine-2-carbonitrile

2-(3-hydroxyazetidin-3-yl)piperidine-2-carbonitrile (PubChem CID 142577150) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(3-hydroxyazetidin-3-yl)piperidine-2-carbonitrile.

Molecular Properties

Compound Name2-(3-hydroxyazetidin-3-yl)piperidine-2-carbonitrile
PubChem CID142577150
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(3-hydroxyazetidin-3-yl)piperidine-2-carbonitrile
SMILESN#CC1(C2(O)CNC2)CCCCN1
InChIInChI=1S/C9H15N3O/c10-5-8(3-1-2-4-12-8)9(13)6-11-7-9/h11-13H,1-4,6-7H2
InChIKeyGUTVCRSNPRVGKF-UHFFFAOYSA-N
XLogP-0.64
TPSA68.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(3-hydroxyazetidin-3-yl)piperidine-2-carbonitrile 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

1-(4-hydroxypiperidin-4-yl)cyclooctane-1-carbonitrile
CID 80603343
2-(2-hydroxyethyl)piperidine-2-carbonitrile
CID 130542465
2-(3-hydroxypiperidin-3-yl)propanenitrile
CID 79130548
1-(4-hydroxyazepan-4-yl)cycloheptane-1-carbonitrile
CID 103983054
2-propan-2-ylpiperidine-2-carbonitrile
CID 84649702
3-aminopiperidine-3-carbonitrile
CID 79303333
1-(3-hydroxypiperidin-3-yl)-2,3-dihydroindene-1-carbonitrile
CID 79129399
1-(1-hydroxycycloheptyl)cyclopentane-1-carbonitrile
CID 79129448
2-(2-fluoroethyl)piperidine-2-carbonitrile
CID 126980040
2,2-dimethylazocane
CID 123664425
1-hydroxycyclohexane-1-carbonitrile;methane
CID 164543008
1-(3-hydroxyazetidin-3-yl)-4-propylcyclohexane-1-carbonitrile
CID 79126868

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyazetidin-3-yl)piperidine-2-carbonitrile?
The IUPAC name of 2-(3-hydroxyazetidin-3-yl)piperidine-2-carbonitrile (CID 142577150) is 2-(3-hydroxyazetidin-3-yl)piperidine-2-carbonitrile.
What is the SMILES notation for 2-(3-hydroxyazetidin-3-yl)piperidine-2-carbonitrile?
The canonical SMILES for 2-(3-hydroxyazetidin-3-yl)piperidine-2-carbonitrile is N#CC1(C2(O)CNC2)CCCCN1.
What is the InChIKey of 2-(3-hydroxyazetidin-3-yl)piperidine-2-carbonitrile?
The InChIKey is GUTVCRSNPRVGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-5-8(3-1-2-4-12-8)9(13)6-11-7-9/h11-13H,1-4,6-7H2.
What are the key properties of 2-(3-hydroxyazetidin-3-yl)piperidine-2-carbonitrile?
2-(3-hydroxyazetidin-3-yl)piperidine-2-carbonitrile has a molecular weight of 181.24 g/mol, XLogP of -0.64, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyazetidin-3-yl)piperidine-2-carbonitrile is sourced from PubChem (CID 142577150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).