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

C14H25NO3 — CID 106837702

IUPAC4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]oxane-4-carbaldehyde
SMILESCC(O)C1CCN(CC2(C=O)CCOCC2)CC1
InChIInChI=1S/C14H25NO3/c1-12(17)13-2-6-15(7-3-13)10-14(11-16)4-8-18-9-5-14/h11-13,17H,2-10H2,1H3
InChIKeyOPEDOKRCJMXYSN-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.07
Rot. Bonds4

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

4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]oxane-4-carbaldehyde (PubChem CID 106837702) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]oxane-4-carbaldehyde.

Molecular Properties

Compound Name4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]oxane-4-carbaldehyde
PubChem CID106837702
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]oxane-4-carbaldehyde
SMILESCC(O)C1CCN(CC2(C=O)CCOCC2)CC1
InChIInChI=1S/C14H25NO3/c1-12(17)13-2-6-15(7-3-13)10-14(11-16)4-8-18-9-5-14/h11-13,17H,2-10H2,1H3
InChIKeyOPEDOKRCJMXYSN-UHFFFAOYSA-N
XLogP1.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]oxane-4-carbaldehyde?
The IUPAC name of 4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]oxane-4-carbaldehyde (CID 106837702) is 4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]oxane-4-carbaldehyde.
What is the SMILES notation for 4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]oxane-4-carbaldehyde?
The canonical SMILES for 4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]oxane-4-carbaldehyde is CC(O)C1CCN(CC2(C=O)CCOCC2)CC1.
What is the InChIKey of 4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]oxane-4-carbaldehyde?
The InChIKey is OPEDOKRCJMXYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-12(17)13-2-6-15(7-3-13)10-14(11-16)4-8-18-9-5-14/h11-13,17H,2-10H2,1H3.
What are the key properties of 4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]oxane-4-carbaldehyde?
4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]oxane-4-carbaldehyde has a molecular weight of 255.36 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]oxane-4-carbaldehyde is sourced from PubChem (CID 106837702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).