1-[(4-methylphenyl)methyl]piperidine-2-carbaldehyde

C14H19NO — CID 62655332

IUPAC1-[(4-methylphenyl)methyl]piperidine-2-carbaldehyde
SMILESCc1ccc(CN2CCCCC2C=O)cc1
InChIInChI=1S/C14H19NO/c1-12-5-7-13(8-6-12)10-15-9-3-2-4-14(15)11-16/h5-8,11,14H,2-4,9-10H2,1H3
InChIKeyWQCCHZUFGCOINW-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.55
Rot. Bonds3

About 1-[(4-methylphenyl)methyl]piperidine-2-carbaldehyde

1-[(4-methylphenyl)methyl]piperidine-2-carbaldehyde (PubChem CID 62655332) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]piperidine-2-carbaldehyde
PubChem CID62655332
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[(4-methylphenyl)methyl]piperidine-2-carbaldehyde
SMILESCc1ccc(CN2CCCCC2C=O)cc1
InChIInChI=1S/C14H19NO/c1-12-5-7-13(8-6-12)10-15-9-3-2-4-14(15)11-16/h5-8,11,14H,2-4,9-10H2,1H3
InChIKeyWQCCHZUFGCOINW-UHFFFAOYSA-N
XLogP2.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.55
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

2-(2-formylpiperidin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 62655146
1-[(3,5-difluorophenyl)methyl]piperidine-2-carbaldehyde
CID 105408633
1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propan-2-amine
CID 83982346
1-(4-methylphenyl)sulfonylpiperidine-2-carbaldehyde
CID 11140100
2-amino-3-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propanoic acid
CID 83982331
1-[(5-bromothiophen-3-yl)methyl]piperidine-2-carbaldehyde
CID 62655513
1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]piperidine
CID 102449955
1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidine-2-carbaldehyde
CID 62656619
(2R,3R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 122124688
1-benzyl-2-[(Z)-2-methoxyethenyl]piperidine
CID 102408699
(2R)-1-benzyl-2-[(E)-3-phenylprop-1-enyl]piperidine
CID 11022672
(2S)-1-benzyl-2-[(E)-3-(2,6-dimethylphenyl)prop-1-enyl]piperidine
CID 100963528

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]piperidine-2-carbaldehyde?
The IUPAC name of 1-[(4-methylphenyl)methyl]piperidine-2-carbaldehyde (CID 62655332) is 1-[(4-methylphenyl)methyl]piperidine-2-carbaldehyde.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]piperidine-2-carbaldehyde?
The canonical SMILES for 1-[(4-methylphenyl)methyl]piperidine-2-carbaldehyde is Cc1ccc(CN2CCCCC2C=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]piperidine-2-carbaldehyde?
The InChIKey is WQCCHZUFGCOINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-12-5-7-13(8-6-12)10-15-9-3-2-4-14(15)11-16/h5-8,11,14H,2-4,9-10H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]piperidine-2-carbaldehyde?
1-[(4-methylphenyl)methyl]piperidine-2-carbaldehyde has a molecular weight of 217.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]piperidine-2-carbaldehyde is sourced from PubChem (CID 62655332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).