2-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carbaldehyde

C14H21N3O — CID 159250873

IUPAC2-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carbaldehyde
SMILESCc1ccc(CNCC2CCCCN2C=O)nc1
InChIInChI=1S/C14H21N3O/c1-12-5-6-13(16-8-12)9-15-10-14-4-2-3-7-17(14)11-18/h5-6,8,11,14-15H,2-4,7,9-10H2,1H3
InChIKeyKVGYMPMJYAOVKF-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.49
Rot. Bonds5

About 2-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carbaldehyde

2-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carbaldehyde (PubChem CID 159250873) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name2-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carbaldehyde
PubChem CID159250873
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carbaldehyde
SMILESCc1ccc(CNCC2CCCCN2C=O)nc1
InChIInChI=1S/C14H21N3O/c1-12-5-6-13(16-8-12)9-15-10-14-4-2-3-7-17(14)11-18/h5-6,8,11,14-15H,2-4,7,9-10H2,1H3
InChIKeyKVGYMPMJYAOVKF-UHFFFAOYSA-N
XLogP1.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carbaldehyde?
The IUPAC name of 2-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carbaldehyde (CID 159250873) is 2-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carbaldehyde.
What is the SMILES notation for 2-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carbaldehyde?
The canonical SMILES for 2-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carbaldehyde is Cc1ccc(CNCC2CCCCN2C=O)nc1.
What is the InChIKey of 2-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carbaldehyde?
The InChIKey is KVGYMPMJYAOVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-12-5-6-13(16-8-12)9-15-10-14-4-2-3-7-17(14)11-18/h5-6,8,11,14-15H,2-4,7,9-10H2,1H3.
What are the key properties of 2-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carbaldehyde?
2-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carbaldehyde has a molecular weight of 247.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carbaldehyde is sourced from PubChem (CID 159250873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).