(2R,4S)-2-(4-fluoro-2-methylphenyl)-2-methylpiperidine-4-carbaldehyde

C14H18FNO — CID 142832659

IUPAC(2R,4S)-2-(4-fluoro-2-methylphenyl)-2-methylpiperidine-4-carbaldehyde
SMILESCc1cc(F)ccc1[C@@]1(C)C[C@@H](C=O)CCN1
InChIInChI=1S/C14H18FNO/c1-10-7-12(15)3-4-13(10)14(2)8-11(9-17)5-6-16-14/h3-4,7,9,11,16H,5-6,8H2,1-2H3/t11-,14+/m0/s1
InChIKeyHVPIJHRZVAFYAZ-SMDDNHRTSA-N
MW235.30 g/mol
LogP2.55
Rot. Bonds2

About (2R,4S)-2-(4-fluoro-2-methylphenyl)-2-methylpiperidine-4-carbaldehyde

(2R,4S)-2-(4-fluoro-2-methylphenyl)-2-methylpiperidine-4-carbaldehyde (PubChem CID 142832659) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is (2R,4S)-2-(4-fluoro-2-methylphenyl)-2-methylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name(2R,4S)-2-(4-fluoro-2-methylphenyl)-2-methylpiperidine-4-carbaldehyde
PubChem CID142832659
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name(2R,4S)-2-(4-fluoro-2-methylphenyl)-2-methylpiperidine-4-carbaldehyde
SMILESCc1cc(F)ccc1[C@@]1(C)C[C@@H](C=O)CCN1
InChIInChI=1S/C14H18FNO/c1-10-7-12(15)3-4-13(10)14(2)8-11(9-17)5-6-16-14/h3-4,7,9,11,16H,5-6,8H2,1-2H3/t11-,14+/m0/s1
InChIKeyHVPIJHRZVAFYAZ-SMDDNHRTSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.55
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

1-(4,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzene
CID 177192416
1-(4-fluoro-2-methylphenyl)cyclobutan-1-ol
CID 79081119
4-fluoro-2-(3-fluorophenyl)-2-methylpiperidine
CID 115027328
1-(4-fluoro-2-methylphenyl)-2,5-dimethylcyclohexan-1-amine
CID 64760982
1-(4-fluoro-2-methylphenyl)-2,2-dimethylcyclopentan-1-ol
CID 79863261
4,13-difluoro-9-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 24966129
1-(4-fluoro-2-methylphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 63407272
2-(4-fluoro-2-methylphenyl)-3-formylpyrrolidine-1-carboxylic acid
CID 87973795
(2S)-2-(4-fluoro-2-methylphenyl)piperidine
CID 55278633
4-fluoro-2-methylbenzaldehyde
CID 2783217
1-(4-fluoro-2-methylphenyl)cyclohexan-1-ol
CID 62787600
(1R)-6-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837861

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(4-fluoro-2-methylphenyl)-2-methylpiperidine-4-carbaldehyde?
The IUPAC name of (2R,4S)-2-(4-fluoro-2-methylphenyl)-2-methylpiperidine-4-carbaldehyde (CID 142832659) is (2R,4S)-2-(4-fluoro-2-methylphenyl)-2-methylpiperidine-4-carbaldehyde.
What is the SMILES notation for (2R,4S)-2-(4-fluoro-2-methylphenyl)-2-methylpiperidine-4-carbaldehyde?
The canonical SMILES for (2R,4S)-2-(4-fluoro-2-methylphenyl)-2-methylpiperidine-4-carbaldehyde is Cc1cc(F)ccc1[C@@]1(C)C[C@@H](C=O)CCN1.
What is the InChIKey of (2R,4S)-2-(4-fluoro-2-methylphenyl)-2-methylpiperidine-4-carbaldehyde?
The InChIKey is HVPIJHRZVAFYAZ-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10-7-12(15)3-4-13(10)14(2)8-11(9-17)5-6-16-14/h3-4,7,9,11,16H,5-6,8H2,1-2H3/t11-,14+/m0/s1.
What are the key properties of (2R,4S)-2-(4-fluoro-2-methylphenyl)-2-methylpiperidine-4-carbaldehyde?
(2R,4S)-2-(4-fluoro-2-methylphenyl)-2-methylpiperidine-4-carbaldehyde has a molecular weight of 235.30 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(4-fluoro-2-methylphenyl)-2-methylpiperidine-4-carbaldehyde is sourced from PubChem (CID 142832659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).