2-phenyl-2-piperidin-1-ylacetaldehyde

C13H17NO — CID 24977472

IUPAC2-phenyl-2-piperidin-1-ylacetaldehyde
SMILESO=CC(c1ccccc1)N1CCCCC1
InChIInChI=1S/C13H17NO/c15-11-13(12-7-3-1-4-8-12)14-9-5-2-6-10-14/h1,3-4,7-8,11,13H,2,5-6,9-10H2
InChIKeyFIYUKWDVNOJKHT-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.41
Rot. Bonds3

About 2-phenyl-2-piperidin-1-ylacetaldehyde

2-phenyl-2-piperidin-1-ylacetaldehyde (PubChem CID 24977472) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-phenyl-2-piperidin-1-ylacetaldehyde.

Molecular Properties

Compound Name2-phenyl-2-piperidin-1-ylacetaldehyde
PubChem CID24977472
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name2-phenyl-2-piperidin-1-ylacetaldehyde
SMILESO=CC(c1ccccc1)N1CCCCC1
InChIInChI=1S/C13H17NO/c15-11-13(12-7-3-1-4-8-12)14-9-5-2-6-10-14/h1,3-4,7-8,11,13H,2,5-6,9-10H2
InChIKeyFIYUKWDVNOJKHT-UHFFFAOYSA-N
XLogP2.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Benzylpiperidine-4-carbaldehyde
CID 89584
4-Phenyl-1-(phenylmethyl)-4-piperidinecarboxaldehyde
CID 96727
9-Benzyl-9-azabicyclo[3.3.1]nonan-3-one
CID 419531
(S)-2-Dibenzylamino-propionaldehyde
CID 11107860
2-Phenyl-2-piperidinoacetamide
CID 51917
2-Morpholino-2-phenylacetamide
CID 97862
1-Methyl-2-phenylpiperidin-4-one
CID 604973
1-Benzyl-6-methylpiperidin-3-one
CID 434564
1,3-Dimethyl-2-phenylpiperidin-4-one
CID 576547
Acetamide, 2-phenyl-2-piperidino-, hydrochloride
CID 51916
4-Formyl-1-methyl-4-phenyl-1-(propan-2-yl)piperidin-1-ium iodide
CID 3024944
4-Piperidinecarboxaldehyde, 1-allyl-4-phenyl-
CID 3064214

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-piperidin-1-ylacetaldehyde?
The IUPAC name of 2-phenyl-2-piperidin-1-ylacetaldehyde (CID 24977472) is 2-phenyl-2-piperidin-1-ylacetaldehyde.
What is the SMILES notation for 2-phenyl-2-piperidin-1-ylacetaldehyde?
The canonical SMILES for 2-phenyl-2-piperidin-1-ylacetaldehyde is O=CC(c1ccccc1)N1CCCCC1.
What is the InChIKey of 2-phenyl-2-piperidin-1-ylacetaldehyde?
The InChIKey is FIYUKWDVNOJKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c15-11-13(12-7-3-1-4-8-12)14-9-5-2-6-10-14/h1,3-4,7-8,11,13H,2,5-6,9-10H2.
What are the key properties of 2-phenyl-2-piperidin-1-ylacetaldehyde?
2-phenyl-2-piperidin-1-ylacetaldehyde has a molecular weight of 203.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-piperidin-1-ylacetaldehyde is sourced from PubChem (CID 24977472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).