1-(oxolan-3-ylmethyl)piperidine-3-carbaldehyde

C11H19NO2 — CID 62655300

IUPAC1-(oxolan-3-ylmethyl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(CC2CCOC2)C1
InChIInChI=1S/C11H19NO2/c13-8-10-2-1-4-12(6-10)7-11-3-5-14-9-11/h8,10-11H,1-7,9H2
InChIKeyNOSLETFKLPUHOQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.93
Rot. Bonds3

About 1-(oxolan-3-ylmethyl)piperidine-3-carbaldehyde

1-(oxolan-3-ylmethyl)piperidine-3-carbaldehyde (PubChem CID 62655300) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(oxolan-3-ylmethyl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(oxolan-3-ylmethyl)piperidine-3-carbaldehyde
PubChem CID62655300
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(oxolan-3-ylmethyl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(CC2CCOC2)C1
InChIInChI=1S/C11H19NO2/c13-8-10-2-1-4-12(6-10)7-11-3-5-14-9-11/h8,10-11H,1-7,9H2
InChIKeyNOSLETFKLPUHOQ-UHFFFAOYSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.93
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

2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid
CID 62690444
3-methyl-1-(oxolan-3-ylmethyl)piperidine
CID 77147821
1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688
N-methyl-1-[1-(oxolan-3-ylmethyl)piperidin-3-yl]methanamine
CID 61204128
1-(oxan-3-ylmethyl)piperidin-3-amine
CID 63741135
2-methoxy-N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 62593612
3-methyl-1-(oxolan-3-ylmethyl)piperidin-4-ol
CID 114502613
1-(oxan-3-ylmethyl)pyrrolidine
CID 91805344
1-(oxolan-3-ylmethyl)pyrrolidin-3-one
CID 62823822
1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-3-carbaldehyde
CID 116523854
2-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]ethanol
CID 63312870
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-3-carbaldehyde
CID 79230311

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-ylmethyl)piperidine-3-carbaldehyde?
The IUPAC name of 1-(oxolan-3-ylmethyl)piperidine-3-carbaldehyde (CID 62655300) is 1-(oxolan-3-ylmethyl)piperidine-3-carbaldehyde.
What is the SMILES notation for 1-(oxolan-3-ylmethyl)piperidine-3-carbaldehyde?
The canonical SMILES for 1-(oxolan-3-ylmethyl)piperidine-3-carbaldehyde is O=CC1CCCN(CC2CCOC2)C1.
What is the InChIKey of 1-(oxolan-3-ylmethyl)piperidine-3-carbaldehyde?
The InChIKey is NOSLETFKLPUHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-8-10-2-1-4-12(6-10)7-11-3-5-14-9-11/h8,10-11H,1-7,9H2.
What are the key properties of 1-(oxolan-3-ylmethyl)piperidine-3-carbaldehyde?
1-(oxolan-3-ylmethyl)piperidine-3-carbaldehyde has a molecular weight of 197.28 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-ylmethyl)piperidine-3-carbaldehyde is sourced from PubChem (CID 62655300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).