1-[2-(oxolan-2-yl)ethyl]piperidine-4-carbaldehyde

C12H21NO2 — CID 65165774

IUPAC1-[2-(oxolan-2-yl)ethyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(CCC2CCCO2)CC1
InChIInChI=1S/C12H21NO2/c14-10-11-3-6-13(7-4-11)8-5-12-2-1-9-15-12/h10-12H,1-9H2
InChIKeyHOPMXKWHRAPNRE-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.47
Rot. Bonds4

About 1-[2-(oxolan-2-yl)ethyl]piperidine-4-carbaldehyde

1-[2-(oxolan-2-yl)ethyl]piperidine-4-carbaldehyde (PubChem CID 65165774) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)ethyl]piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)ethyl]piperidine-4-carbaldehyde
PubChem CID65165774
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-[2-(oxolan-2-yl)ethyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(CCC2CCCO2)CC1
InChIInChI=1S/C12H21NO2/c14-10-11-3-6-13(7-4-11)8-5-12-2-1-9-15-12/h10-12H,1-9H2
InChIKeyHOPMXKWHRAPNRE-UHFFFAOYSA-N
XLogP1.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(oxolan-2-yl)ethyl]piperidine-4-carbaldehyde 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

1-(oxan-2-ylmethyl)piperidine-4-carbaldehyde
CID 62655555
1-[2-(oxolan-2-yl)ethyl]piperidin-4-ol
CID 65165900
4-[2-(oxolan-2-yl)ethyl]morpholine
CID 130172160
1-(2-bromoethyl)-4-[2-(oxolan-2-yl)ethyl]piperazine
CID 80673810
2-(4-formylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 62655740
3-chloro-1-[2-(oxolan-2-yl)ethyl]piperidine
CID 65165784
3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 65158558
5-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]pentan-1-amine
CID 65158754
4-[2-(oxolan-2-yl)ethyl]morpholine-2-carboxylic acid
CID 65162198
1-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 65161936
1-[3-(oxolan-2-yl)propyl]piperidin-4-amine
CID 65159918
2-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]acetic acid
CID 79608135

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-yl)ethyl]piperidine-4-carbaldehyde?
The IUPAC name of 1-[2-(oxolan-2-yl)ethyl]piperidine-4-carbaldehyde (CID 65165774) is 1-[2-(oxolan-2-yl)ethyl]piperidine-4-carbaldehyde.
What is the SMILES notation for 1-[2-(oxolan-2-yl)ethyl]piperidine-4-carbaldehyde?
The canonical SMILES for 1-[2-(oxolan-2-yl)ethyl]piperidine-4-carbaldehyde is O=CC1CCN(CCC2CCCO2)CC1.
What is the InChIKey of 1-[2-(oxolan-2-yl)ethyl]piperidine-4-carbaldehyde?
The InChIKey is HOPMXKWHRAPNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-10-11-3-6-13(7-4-11)8-5-12-2-1-9-15-12/h10-12H,1-9H2.
What are the key properties of 1-[2-(oxolan-2-yl)ethyl]piperidine-4-carbaldehyde?
1-[2-(oxolan-2-yl)ethyl]piperidine-4-carbaldehyde has a molecular weight of 211.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-yl)ethyl]piperidine-4-carbaldehyde is sourced from PubChem (CID 65165774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).