4-(hydroxymethyl)piperidine-1-carbonitrile

C7H12N2O — CID 51358289

IUPAC4-(hydroxymethyl)piperidine-1-carbonitrile
SMILESN#CN1CCC(CO)CC1
InChIInChI=1S/C7H12N2O/c8-6-9-3-1-7(5-10)2-4-9/h7,10H,1-5H2
InChIKeyFCTBLVBTBKPWLL-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.17
Rot. Bonds1

About 4-(hydroxymethyl)piperidine-1-carbonitrile

4-(hydroxymethyl)piperidine-1-carbonitrile (PubChem CID 51358289) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-(hydroxymethyl)piperidine-1-carbonitrile.

Molecular Properties

Compound Name4-(hydroxymethyl)piperidine-1-carbonitrile
PubChem CID51358289
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4-(hydroxymethyl)piperidine-1-carbonitrile
SMILESN#CN1CCC(CO)CC1
InChIInChI=1S/C7H12N2O/c8-6-9-3-1-7(5-10)2-4-9/h7,10H,1-5H2
InChIKeyFCTBLVBTBKPWLL-UHFFFAOYSA-N
XLogP0.17
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

4-ethylpiperidine-1-carbonitrile
CID 89030426
3-(2-hydroxyethyl)pyrrolidine-1-carbonitrile
CID 114797591
(1-cyanopiperidin-4-yl)methyl carbamate
CID 87946051
3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile
CID 43133161
3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropanenitrile
CID 43133331
5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile
CID 53418278
3-[4-(hydroxymethyl)piperidin-1-yl]butanenitrile
CID 60913650
acetylene;3-ethylpyrrolidine-1-carbonitrile
CID 170704684
4-hydroxyazepane-1-carbonitrile
CID 131020835
4-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251805
(1-hydrazinylpiperidin-4-yl)methanol
CID 146320777
methyl N-cyano-3-(hydroxymethyl)pyrrolidine-1-carboximidothioate
CID 103942740

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)piperidine-1-carbonitrile?
The IUPAC name of 4-(hydroxymethyl)piperidine-1-carbonitrile (CID 51358289) is 4-(hydroxymethyl)piperidine-1-carbonitrile.
What is the SMILES notation for 4-(hydroxymethyl)piperidine-1-carbonitrile?
The canonical SMILES for 4-(hydroxymethyl)piperidine-1-carbonitrile is N#CN1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)piperidine-1-carbonitrile?
The InChIKey is FCTBLVBTBKPWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c8-6-9-3-1-7(5-10)2-4-9/h7,10H,1-5H2.
What are the key properties of 4-(hydroxymethyl)piperidine-1-carbonitrile?
4-(hydroxymethyl)piperidine-1-carbonitrile has a molecular weight of 140.19 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)piperidine-1-carbonitrile is sourced from PubChem (CID 51358289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).