piperidine;3-propan-2-ylbenzaldehyde

C15H23NO — CID 144804603

IUPACpiperidine;3-propan-2-ylbenzaldehyde
SMILESC1CCNCC1.CC(C)c1cccc(C=O)c1
InChIInChI=1S/C10H12O.C5H11N/c1-8(2)10-5-3-4-9(6-10)7-11;1-2-4-6-5-3-1/h3-8H,1-2H3;6H,1-5H2
InChIKeyRFRXUBLCDBRJHC-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.38
Rot. Bonds2

About piperidine;3-propan-2-ylbenzaldehyde

piperidine;3-propan-2-ylbenzaldehyde (PubChem CID 144804603) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is piperidine;3-propan-2-ylbenzaldehyde.

Molecular Properties

Compound Namepiperidine;3-propan-2-ylbenzaldehyde
PubChem CID144804603
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Namepiperidine;3-propan-2-ylbenzaldehyde
SMILESC1CCNCC1.CC(C)c1cccc(C=O)c1
InChIInChI=1S/C10H12O.C5H11N/c1-8(2)10-5-3-4-9(6-10)7-11;1-2-4-6-5-3-1/h3-8H,1-2H3;6H,1-5H2
InChIKeyRFRXUBLCDBRJHC-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-piperidin-3-ylethyl)benzaldehyde
CID 115030279
3-(1-pyrrolidin-3-ylethyl)benzaldehyde
CID 115023129
3-(1-fluoroethyl)benzaldehyde
CID 83856182
3-(1-fluoro-2-methylpropyl)benzaldehyde
CID 83856184
3-(4-oxobutan-2-yl)benzaldehyde
CID 174605673
3-[chloro-(3-formylphenyl)methyl]benzaldehyde
CID 57015313
4-(3-propan-2-ylphenyl)but-3-enal
CID 170481683
3-pentan-2-ylbenzaldehyde
CID 139685912
(1E,5E)-1,6-bis(3-bromophenyl)hexa-1,5-diene-3,4-dione;3-bromobenzaldehyde;butane-2,3-dione;ethanol;piperidine
CID 160854819
3-(piperidin-4-ylidenemethyl)benzaldehyde
CID 165456396
3-[cyclobutyl(hydroxy)methyl]benzaldehyde
CID 115018179
benzene-1,3-dicarbaldehyde;ethane
CID 91375977

Frequently Asked Questions

What is the IUPAC name of piperidine;3-propan-2-ylbenzaldehyde?
The IUPAC name of piperidine;3-propan-2-ylbenzaldehyde (CID 144804603) is piperidine;3-propan-2-ylbenzaldehyde.
What is the SMILES notation for piperidine;3-propan-2-ylbenzaldehyde?
The canonical SMILES for piperidine;3-propan-2-ylbenzaldehyde is C1CCNCC1.CC(C)c1cccc(C=O)c1.
What is the InChIKey of piperidine;3-propan-2-ylbenzaldehyde?
The InChIKey is RFRXUBLCDBRJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C5H11N/c1-8(2)10-5-3-4-9(6-10)7-11;1-2-4-6-5-3-1/h3-8H,1-2H3;6H,1-5H2.
What are the key properties of piperidine;3-propan-2-ylbenzaldehyde?
piperidine;3-propan-2-ylbenzaldehyde has a molecular weight of 233.36 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;3-propan-2-ylbenzaldehyde is sourced from PubChem (CID 144804603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).