3-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropanal

C11H21NO2 — CID 62275779

IUPAC3-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN1CCCC(CO)C1
InChIInChI=1S/C11H21NO2/c1-11(2,9-14)8-12-5-3-4-10(6-12)7-13/h9-10,13H,3-8H2,1-2H3
InChIKeyGZMLGKCSJLGCGZ-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.92
Rot. Bonds4

About 3-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropanal

3-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropanal (PubChem CID 62275779) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropanal
PubChem CID62275779
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN1CCCC(CO)C1
InChIInChI=1S/C11H21NO2/c1-11(2,9-14)8-12-5-3-4-10(6-12)7-13/h9-10,13H,3-8H2,1-2H3
InChIKeyGZMLGKCSJLGCGZ-UHFFFAOYSA-N
XLogP0.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanal
CID 114800023
3-(3-ethoxypiperidin-1-yl)-2,2-dimethylpropanal
CID 62277964
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
[1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]piperidin-3-yl]methanol
CID 62278559
2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal
CID 62276202
[(3R)-1-(cyclooctylmethyl)piperidin-3-yl]methanol
CID 91565820
[1-(cyclohexylmethyl)piperidin-3-yl]methanol
CID 3488104
CID 59303854
CID 59303854
5-[3-(hydroxymethyl)piperidin-1-yl]pentan-1-ol
CID 62229344
2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]-2-methylbutanal
CID 114800024
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2,2-dimethylpropanal
CID 62478854
[(3R)-1-(2-chloroethyl)piperidin-3-yl]methanol
CID 124679316

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropanal?
The IUPAC name of 3-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropanal (CID 62275779) is 3-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropanal.
What is the SMILES notation for 3-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropanal?
The canonical SMILES for 3-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropanal is CC(C)(C=O)CN1CCCC(CO)C1.
What is the InChIKey of 3-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropanal?
The InChIKey is GZMLGKCSJLGCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,9-14)8-12-5-3-4-10(6-12)7-13/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 3-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropanal?
3-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropanal has a molecular weight of 199.29 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropanal is sourced from PubChem (CID 62275779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).