4-phenyl-2-propan-2-ylpiperidine-1-carbaldehyde

C15H21NO — CID 76543536

IUPAC4-phenyl-2-propan-2-ylpiperidine-1-carbaldehyde
SMILESCC(C)C1CC(c2ccccc2)CCN1C=O
InChIInChI=1S/C15H21NO/c1-12(2)15-10-14(8-9-16(15)11-17)13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10H2,1-2H3
InChIKeyHOGDOWGKAIWKTO-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.05
Rot. Bonds3

About 4-phenyl-2-propan-2-ylpiperidine-1-carbaldehyde

4-phenyl-2-propan-2-ylpiperidine-1-carbaldehyde (PubChem CID 76543536) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-phenyl-2-propan-2-ylpiperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-phenyl-2-propan-2-ylpiperidine-1-carbaldehyde
PubChem CID76543536
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-phenyl-2-propan-2-ylpiperidine-1-carbaldehyde
SMILESCC(C)C1CC(c2ccccc2)CCN1C=O
InChIInChI=1S/C15H21NO/c1-12(2)15-10-14(8-9-16(15)11-17)13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10H2,1-2H3
InChIKeyHOGDOWGKAIWKTO-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-4-phenylpiperidine-1-carbaldehyde
CID 140572402
2-phenylazetidine-1-carbaldehyde
CID 172843566
1-methyl-4-phenyl-2-propan-2-ylpyrrolidine
CID 158471478
(3S)-3-phenylpyrrolidine-1-carbaldehyde
CID 175059746
4-phenyl-2-propylazepane-1-carbaldehyde
CID 87562749
2-benzhydrylpyrrolidine-1-carbaldehyde
CID 87629183
4-amino-2-phenylpiperidine-1-carbaldehyde
CID 165142016
(2R,4S)-4-phenyl-2-propan-2-yloxane
CID 118068345
(3S)-3-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 176811342
3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
2,4-bis(4-phenylpiperidin-1-yl)pentan-3-one
CID 174394805
4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine
CID 142115785

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-propan-2-ylpiperidine-1-carbaldehyde?
The IUPAC name of 4-phenyl-2-propan-2-ylpiperidine-1-carbaldehyde (CID 76543536) is 4-phenyl-2-propan-2-ylpiperidine-1-carbaldehyde.
What is the SMILES notation for 4-phenyl-2-propan-2-ylpiperidine-1-carbaldehyde?
The canonical SMILES for 4-phenyl-2-propan-2-ylpiperidine-1-carbaldehyde is CC(C)C1CC(c2ccccc2)CCN1C=O.
What is the InChIKey of 4-phenyl-2-propan-2-ylpiperidine-1-carbaldehyde?
The InChIKey is HOGDOWGKAIWKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12(2)15-10-14(8-9-16(15)11-17)13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10H2,1-2H3.
What are the key properties of 4-phenyl-2-propan-2-ylpiperidine-1-carbaldehyde?
4-phenyl-2-propan-2-ylpiperidine-1-carbaldehyde has a molecular weight of 231.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-propan-2-ylpiperidine-1-carbaldehyde is sourced from PubChem (CID 76543536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).