5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile

C11H20N2O — CID 53418278

IUPAC5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile
SMILESN#CCCCCN1CCC(CO)CC1
InChIInChI=1S/C11H20N2O/c12-6-2-1-3-7-13-8-4-11(10-14)5-9-13/h11,14H,1-5,7-10H2
InChIKeyVTUVHYHIWUAONK-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.38
Rot. Bonds5

About 5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile

5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile (PubChem CID 53418278) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile
PubChem CID53418278
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile
SMILESN#CCCCCN1CCC(CO)CC1
InChIInChI=1S/C11H20N2O/c12-6-2-1-3-7-13-8-4-11(10-14)5-9-13/h11,14H,1-5,7-10H2
InChIKeyVTUVHYHIWUAONK-UHFFFAOYSA-N
XLogP1.38
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile?
The IUPAC name of 5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile (CID 53418278) is 5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile.
What is the SMILES notation for 5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile?
The canonical SMILES for 5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile is N#CCCCCN1CCC(CO)CC1.
What is the InChIKey of 5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile?
The InChIKey is VTUVHYHIWUAONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c12-6-2-1-3-7-13-8-4-11(10-14)5-9-13/h11,14H,1-5,7-10H2.
What are the key properties of 5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile?
5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile has a molecular weight of 196.29 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile is sourced from PubChem (CID 53418278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).