4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxane-4-carbaldehyde

C14H25NO4 — CID 82691530

IUPAC4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxane-4-carbaldehyde
SMILESO=CC1(CN2CCC(OCCO)CC2)CCOCC1
InChIInChI=1S/C14H25NO4/c16-7-10-19-13-1-5-15(6-2-13)11-14(12-17)3-8-18-9-4-14/h12-13,16H,1-11H2
InChIKeyCSTQRORMHALJOQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.46
Rot. Bonds6

About 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxane-4-carbaldehyde

4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxane-4-carbaldehyde (PubChem CID 82691530) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxane-4-carbaldehyde.

Molecular Properties

Compound Name4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxane-4-carbaldehyde
PubChem CID82691530
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxane-4-carbaldehyde
SMILESO=CC1(CN2CCC(OCCO)CC2)CCOCC1
InChIInChI=1S/C14H25NO4/c16-7-10-19-13-1-5-15(6-2-13)11-14(12-17)3-8-18-9-4-14/h12-13,16H,1-11H2
InChIKeyCSTQRORMHALJOQ-UHFFFAOYSA-N
XLogP0.46
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxane-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

3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxolane-3-carbaldehyde
CID 82690939
1-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]cycloheptane-1-carbaldehyde
CID 82691382
4-[(4-methoxypiperidin-1-yl)methyl]oxane-4-carbaldehyde
CID 62391619
4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]oxane-4-carbaldehyde
CID 106837702
4-(pyrrolidin-1-ylmethyl)oxane-4-carbaldehyde
CID 62391613
4-[(3-propoxypiperidin-1-yl)methyl]oxane-4-carbaldehyde
CID 62391625
1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carbaldehyde
CID 62278259
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde
CID 55051211
3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolane-3-carbaldehyde
CID 112628863
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)oxane-4-carbaldehyde
CID 115561822
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxane-4-carbaldehyde
CID 79183741
2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanol
CID 115771078

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxane-4-carbaldehyde?
The IUPAC name of 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxane-4-carbaldehyde (CID 82691530) is 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxane-4-carbaldehyde.
What is the SMILES notation for 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxane-4-carbaldehyde?
The canonical SMILES for 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxane-4-carbaldehyde is O=CC1(CN2CCC(OCCO)CC2)CCOCC1.
What is the InChIKey of 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxane-4-carbaldehyde?
The InChIKey is CSTQRORMHALJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c16-7-10-19-13-1-5-15(6-2-13)11-14(12-17)3-8-18-9-4-14/h12-13,16H,1-11H2.
What are the key properties of 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxane-4-carbaldehyde?
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxane-4-carbaldehyde has a molecular weight of 271.36 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxane-4-carbaldehyde is sourced from PubChem (CID 82691530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).