1-(3,5-dimethylphenyl)piperidine-2-carbaldehyde

C14H19NO — CID 174971713

IUPAC1-(3,5-dimethylphenyl)piperidine-2-carbaldehyde
SMILESCc1cc(C)cc(N2CCCCC2C=O)c1
InChIInChI=1S/C14H19NO/c1-11-7-12(2)9-14(8-11)15-6-4-3-5-13(15)10-16/h7-10,13H,3-6H2,1-2H3
InChIKeyCCLHVRORDRBAIB-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.86
Rot. Bonds2

About 1-(3,5-dimethylphenyl)piperidine-2-carbaldehyde

1-(3,5-dimethylphenyl)piperidine-2-carbaldehyde (PubChem CID 174971713) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)piperidine-2-carbaldehyde
PubChem CID174971713
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(3,5-dimethylphenyl)piperidine-2-carbaldehyde
SMILESCc1cc(C)cc(N2CCCCC2C=O)c1
InChIInChI=1S/C14H19NO/c1-11-7-12(2)9-14(8-11)15-6-4-3-5-13(15)10-16/h7-10,13H,3-6H2,1-2H3
InChIKeyCCLHVRORDRBAIB-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.86
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

(2S)-1-phenylpiperidine-2-carbaldehyde
CID 86336366
1-(4-hydroxyphenyl)piperidine-2-carbaldehyde
CID 175249776
1-(4-methyl-2-pyridinyl)piperidine-2-carbaldehyde
CID 62663428
1-(4-amino-2-methylphenyl)azepane-2-carbaldehyde
CID 174467789
1-[4-(aminomethyl)phenyl]piperidine-2-carbaldehyde
CID 174467781
(2S)-1-phenylpyrrolidine-2-carbaldehyde
CID 173110062
1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2-carbaldehyde
CID 113293059
1-(6-acetyl-3-pyridinyl)piperidine-2-carbaldehyde
CID 83128897
hex-1-ene;1-phenylpiperidine-2-carbaldehyde
CID 174454912
1-[4-(1-aminoethyl)phenyl]pyrrolidine-2-carbaldehyde
CID 167239299
2-(3,5-dimethylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79929753
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-2-carbaldehyde
CID 62663961

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(3,5-dimethylphenyl)piperidine-2-carbaldehyde (CID 174971713) is 1-(3,5-dimethylphenyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(3,5-dimethylphenyl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(3,5-dimethylphenyl)piperidine-2-carbaldehyde is Cc1cc(C)cc(N2CCCCC2C=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)piperidine-2-carbaldehyde?
The InChIKey is CCLHVRORDRBAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-7-12(2)9-14(8-11)15-6-4-3-5-13(15)10-16/h7-10,13H,3-6H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)piperidine-2-carbaldehyde?
1-(3,5-dimethylphenyl)piperidine-2-carbaldehyde has a molecular weight of 217.31 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 174971713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).