(2R)-2-(2,6-dimethoxyphenyl)piperidine-1-carbaldehyde

C14H19NO3 — CID 124500754

IUPAC(2R)-2-(2,6-dimethoxyphenyl)piperidine-1-carbaldehyde
SMILESCOc1cccc(OC)c1[C@H]1CCCCN1C=O
InChIInChI=1S/C14H19NO3/c1-17-12-7-5-8-13(18-2)14(12)11-6-3-4-9-15(11)10-16/h5,7-8,10-11H,3-4,6,9H2,1-2H3/t11-/m1/s1
InChIKeyZYDOIGJQLJKBJJ-LLVKDONJSA-N
MW249.31 g/mol
LogP2.39
Rot. Bonds4

About (2R)-2-(2,6-dimethoxyphenyl)piperidine-1-carbaldehyde

(2R)-2-(2,6-dimethoxyphenyl)piperidine-1-carbaldehyde (PubChem CID 124500754) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2R)-2-(2,6-dimethoxyphenyl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name(2R)-2-(2,6-dimethoxyphenyl)piperidine-1-carbaldehyde
PubChem CID124500754
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2R)-2-(2,6-dimethoxyphenyl)piperidine-1-carbaldehyde
SMILESCOc1cccc(OC)c1[C@H]1CCCCN1C=O
InChIInChI=1S/C14H19NO3/c1-17-12-7-5-8-13(18-2)14(12)11-6-3-4-9-15(11)10-16/h5,7-8,10-11H,3-4,6,9H2,1-2H3/t11-/m1/s1
InChIKeyZYDOIGJQLJKBJJ-LLVKDONJSA-N
XLogP2.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2,4,6-trimethoxyphenyl)pyrrolidine-1-carbaldehyde
CID 164666012
2-(6-methoxy-3-pyridinyl)piperidine-1-carbaldehyde
CID 102539308
(2R)-2-(2,6-dimethoxyphenyl)-1-propylpyrrolidine
CID 124500725
2-[3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]piperidine-1-carbaldehyde
CID 143979657
2-thiophen-2-ylpiperidine-1-carbaldehyde
CID 12870953
2-(2-ethylphenyl)azepane-1-carbaldehyde
CID 146193885
(1R,9R,10R)-3-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carbaldehyde
CID 154087976
(2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine
CID 124500714
2-(3-methylphenyl)pyrrolidine-1-carbaldehyde;hydrochloride
CID 175371081
(2S)-1-formyl-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
CID 89190532
(4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9169184
(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
CID 124501094

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,6-dimethoxyphenyl)piperidine-1-carbaldehyde?
The IUPAC name of (2R)-2-(2,6-dimethoxyphenyl)piperidine-1-carbaldehyde (CID 124500754) is (2R)-2-(2,6-dimethoxyphenyl)piperidine-1-carbaldehyde.
What is the SMILES notation for (2R)-2-(2,6-dimethoxyphenyl)piperidine-1-carbaldehyde?
The canonical SMILES for (2R)-2-(2,6-dimethoxyphenyl)piperidine-1-carbaldehyde is COc1cccc(OC)c1[C@H]1CCCCN1C=O.
What is the InChIKey of (2R)-2-(2,6-dimethoxyphenyl)piperidine-1-carbaldehyde?
The InChIKey is ZYDOIGJQLJKBJJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-12-7-5-8-13(18-2)14(12)11-6-3-4-9-15(11)10-16/h5,7-8,10-11H,3-4,6,9H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-2-(2,6-dimethoxyphenyl)piperidine-1-carbaldehyde?
(2R)-2-(2,6-dimethoxyphenyl)piperidine-1-carbaldehyde has a molecular weight of 249.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,6-dimethoxyphenyl)piperidine-1-carbaldehyde is sourced from PubChem (CID 124500754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).