1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carbaldehyde

C13H23NO2 — CID 116523854

IUPAC1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carbaldehyde
SMILESCC1(C)CCC(CN2CCCC(C=O)C2)O1
InChIInChI=1S/C13H23NO2/c1-13(2)6-5-12(16-13)9-14-7-3-4-11(8-14)10-15/h10-12H,3-9H2,1-2H3
InChIKeyARWNTRIGNIKCGI-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.85
Rot. Bonds3

About 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carbaldehyde

1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carbaldehyde (PubChem CID 116523854) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carbaldehyde
PubChem CID116523854
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carbaldehyde
SMILESCC1(C)CCC(CN2CCCC(C=O)C2)O1
InChIInChI=1S/C13H23NO2/c1-13(2)6-5-12(16-13)9-14-7-3-4-11(8-14)10-15/h10-12H,3-9H2,1-2H3
InChIKeyARWNTRIGNIKCGI-UHFFFAOYSA-N
XLogP1.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carboxylate
CID 116523405
1-[(1-methylcyclobutyl)methyl]piperidine-3-carbaldehyde
CID 130601547
1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine
CID 116522884
4-[(5,5-dimethyloxolan-2-yl)methyl]morpholine
CID 130167785
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 116523453
1-(oxolan-3-ylmethyl)piperidine-3-carbaldehyde
CID 62655300
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 116522163
[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methanamine
CID 116520993
1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-3-ol
CID 104889632
5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 116522898
3-chloro-1-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylpyrrolidine
CID 130769945
3-tert-butyl-1-[(5,5-dimethyloxolan-2-yl)methyl]piperazine
CID 116524417

Frequently Asked Questions

What is the IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carbaldehyde?
The IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carbaldehyde (CID 116523854) is 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carbaldehyde.
What is the SMILES notation for 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carbaldehyde?
The canonical SMILES for 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carbaldehyde is CC1(C)CCC(CN2CCCC(C=O)C2)O1.
What is the InChIKey of 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carbaldehyde?
The InChIKey is ARWNTRIGNIKCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2)6-5-12(16-13)9-14-7-3-4-11(8-14)10-15/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carbaldehyde?
1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carbaldehyde has a molecular weight of 225.33 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carbaldehyde is sourced from PubChem (CID 116523854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).