1-(4-methyl-2-pyridinyl)piperidine-2-carbaldehyde

C12H16N2O — CID 62663428

IUPAC1-(4-methyl-2-pyridinyl)piperidine-2-carbaldehyde
SMILESCc1ccnc(N2CCCCC2C=O)c1
InChIInChI=1S/C12H16N2O/c1-10-5-6-13-12(8-10)14-7-3-2-4-11(14)9-15/h5-6,8-9,11H,2-4,7H2,1H3
InChIKeyXKAXJFLDVRFSSH-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.95
Rot. Bonds2

About 1-(4-methyl-2-pyridinyl)piperidine-2-carbaldehyde

1-(4-methyl-2-pyridinyl)piperidine-2-carbaldehyde (PubChem CID 62663428) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(4-methyl-2-pyridinyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(4-methyl-2-pyridinyl)piperidine-2-carbaldehyde
PubChem CID62663428
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(4-methyl-2-pyridinyl)piperidine-2-carbaldehyde
SMILESCc1ccnc(N2CCCCC2C=O)c1
InChIInChI=1S/C12H16N2O/c1-10-5-6-13-12(8-10)14-7-3-2-4-11(14)9-15/h5-6,8-9,11H,2-4,7H2,1H3
InChIKeyXKAXJFLDVRFSSH-UHFFFAOYSA-N
XLogP1.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.95
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

1-pyridin-2-ylpiperidine-2-carbaldehyde
CID 62665226
2-[1-(4-methyl-2-pyridinyl)piperidin-2-yl]ethanamine
CID 63766267
1-(3,5-dimethylphenyl)piperidine-2-carbaldehyde
CID 174971713
2-[2-(2-bromoethyl)pyrrolidin-1-yl]-4-methylpyridine
CID 130534011
1-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde
CID 62662720
5-methyl-1-(4-methyl-2-pyridinyl)azonane
CID 123292959
2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-methylpyridine
CID 80679655
6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile
CID 62662719
1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde
CID 106542379
1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2-carbaldehyde
CID 113293059
1-furo[3,2-c]pyridin-4-ylpiperidine-2-carbaldehyde
CID 106535618
(2S)-1-phenylpiperidine-2-carbaldehyde
CID 86336366

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyridinyl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(4-methyl-2-pyridinyl)piperidine-2-carbaldehyde (CID 62663428) is 1-(4-methyl-2-pyridinyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(4-methyl-2-pyridinyl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(4-methyl-2-pyridinyl)piperidine-2-carbaldehyde is Cc1ccnc(N2CCCCC2C=O)c1.
What is the InChIKey of 1-(4-methyl-2-pyridinyl)piperidine-2-carbaldehyde?
The InChIKey is XKAXJFLDVRFSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10-5-6-13-12(8-10)14-7-3-2-4-11(14)9-15/h5-6,8-9,11H,2-4,7H2,1H3.
What are the key properties of 1-(4-methyl-2-pyridinyl)piperidine-2-carbaldehyde?
1-(4-methyl-2-pyridinyl)piperidine-2-carbaldehyde has a molecular weight of 204.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-pyridinyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 62663428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).