3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile

C9H16N2O — CID 43133161

IUPAC3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile
SMILESN#CCCN1CCC(CO)CC1
InChIInChI=1S/C9H16N2O/c10-4-1-5-11-6-2-9(8-12)3-7-11/h9,12H,1-3,5-8H2
InChIKeyFTOWKUZYGNTLKH-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.60
Rot. Bonds3

About 3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile

3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile (PubChem CID 43133161) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile
PubChem CID43133161
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile
SMILESN#CCCN1CCC(CO)CC1
InChIInChI=1S/C9H16N2O/c10-4-1-5-11-6-2-9(8-12)3-7-11/h9,12H,1-3,5-8H2
InChIKeyFTOWKUZYGNTLKH-UHFFFAOYSA-N
XLogP0.60
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile 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

5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile
CID 53418278
3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile
CID 60970004
3-[4-(2-methylpropyl)piperidin-1-yl]propanenitrile
CID 142908728
4-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251805
3-[4-(dimethylamino)piperidin-1-yl]propanenitrile
CID 43430781
[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanol
CID 54080163
3-[4-(3-hydroxypropoxy)piperidin-1-yl]propanenitrile
CID 69021170
[1-(2-cyanoethyl)piperidin-4-yl] hypoiodite
CID 138600618
3-[3-(2-chloroethyl)pyrrolidin-1-yl]propanenitrile
CID 12612443
4-(hydroxymethyl)piperidine-1-carbonitrile
CID 51358289
6-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-ol
CID 103737785
3-[4-(cyanomethylamino)piperidin-1-yl]propanenitrile
CID 162706867

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile (CID 43133161) is 3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile is N#CCCN1CCC(CO)CC1.
What is the InChIKey of 3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile?
The InChIKey is FTOWKUZYGNTLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c10-4-1-5-11-6-2-9(8-12)3-7-11/h9,12H,1-3,5-8H2.
What are the key properties of 3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile?
3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile has a molecular weight of 168.24 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile is sourced from PubChem (CID 43133161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).