2-(6-methoxy-3-pyridinyl)piperidine-1-carbaldehyde

C12H16N2O2 — CID 102539308

IUPAC2-(6-methoxy-3-pyridinyl)piperidine-1-carbaldehyde
SMILESCOc1ccc(C2CCCCN2C=O)cn1
InChIInChI=1S/C12H16N2O2/c1-16-12-6-5-10(8-13-12)11-4-2-3-7-14(11)9-15/h5-6,8-9,11H,2-4,7H2,1H3
InChIKeyOSLGONZNHZYOQM-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.77
Rot. Bonds3

About 2-(6-methoxy-3-pyridinyl)piperidine-1-carbaldehyde

2-(6-methoxy-3-pyridinyl)piperidine-1-carbaldehyde (PubChem CID 102539308) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)piperidine-1-carbaldehyde
PubChem CID102539308
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(6-methoxy-3-pyridinyl)piperidine-1-carbaldehyde
SMILESCOc1ccc(C2CCCCN2C=O)cn1
InChIInChI=1S/C12H16N2O2/c1-16-12-6-5-10(8-13-12)11-4-2-3-7-14(11)9-15/h5-6,8-9,11H,2-4,7H2,1H3
InChIKeyOSLGONZNHZYOQM-UHFFFAOYSA-N
XLogP1.77
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.77
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

2-(6-bromo-3-pyridinyl)piperidine-1-carbaldehyde
CID 102539255
2-(6-phenylmethoxy-3-pyridinyl)piperidine-1-carbaldehyde
CID 102539496
2-[6-(dimethylamino)-3-pyridinyl]pyrrolidine-1-carbaldehyde
CID 102539774
2-(6-tert-butylsulfanyl-3-pyridinyl)pyrrolidine-1-carbaldehyde
CID 102542195
5-cyclopentyl-2-methoxypyridine
CID 102520175
tert-butyl N-cyclopropyl-N-[5-(1-formylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102541139
2-[6-(4-pentan-3-ylpiperazin-1-yl)-3-pyridinyl]piperidine-1-carbaldehyde;hydrochloride
CID 87603734
(2R)-2-(2,6-dimethoxyphenyl)piperidine-1-carbaldehyde
CID 124500754
2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde
CID 59988721
cis-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde
CID 130863052
4-(6-methoxy-3-pyridinyl)azetidin-2-one
CID 114938690
5-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;dihydrochloride
CID 139714909

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)piperidine-1-carbaldehyde?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)piperidine-1-carbaldehyde (CID 102539308) is 2-(6-methoxy-3-pyridinyl)piperidine-1-carbaldehyde.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)piperidine-1-carbaldehyde?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)piperidine-1-carbaldehyde is COc1ccc(C2CCCCN2C=O)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)piperidine-1-carbaldehyde?
The InChIKey is OSLGONZNHZYOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-12-6-5-10(8-13-12)11-4-2-3-7-14(11)9-15/h5-6,8-9,11H,2-4,7H2,1H3.
What are the key properties of 2-(6-methoxy-3-pyridinyl)piperidine-1-carbaldehyde?
2-(6-methoxy-3-pyridinyl)piperidine-1-carbaldehyde has a molecular weight of 220.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)piperidine-1-carbaldehyde is sourced from PubChem (CID 102539308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).