4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]benzaldehyde

C15H19NO3 — CID 155923769

IUPAC4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]benzaldehyde
SMILESO=Cc1ccc(C(=O)N2CCC(CCO)CC2)cc1
InChIInChI=1S/C15H19NO3/c17-10-7-12-5-8-16(9-6-12)15(19)14-3-1-13(11-18)2-4-14/h1-4,11-12,17H,5-10H2
InChIKeyMIXQWHDMSUKIOP-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.73
Rot. Bonds4

About 4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]benzaldehyde

4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]benzaldehyde (PubChem CID 155923769) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]benzaldehyde.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]benzaldehyde
PubChem CID155923769
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]benzaldehyde
SMILESO=Cc1ccc(C(=O)N2CCC(CCO)CC2)cc1
InChIInChI=1S/C15H19NO3/c17-10-7-12-5-8-16(9-6-12)15(19)14-3-1-13(11-18)2-4-14/h1-4,11-12,17H,5-10H2
InChIKeyMIXQWHDMSUKIOP-UHFFFAOYSA-N
XLogP1.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-hydroxyethyl)piperidine-1-carbonyl]benzaldehyde?
The IUPAC name of 4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]benzaldehyde (CID 155923769) is 4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]benzaldehyde.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]benzaldehyde?
The canonical SMILES for 4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]benzaldehyde is O=Cc1ccc(C(=O)N2CCC(CCO)CC2)cc1.
What is the InChIKey of 4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]benzaldehyde?
The InChIKey is MIXQWHDMSUKIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-10-7-12-5-8-16(9-6-12)15(19)14-3-1-13(11-18)2-4-14/h1-4,11-12,17H,5-10H2.
What are the key properties of 4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]benzaldehyde?
4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]benzaldehyde has a molecular weight of 261.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]benzaldehyde is sourced from PubChem (CID 155923769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).