4-(5-amino-6-methyl-2-pyridinyl)piperidine-1-carbaldehyde

C12H17N3O — CID 89100455

IUPAC4-(5-amino-6-methyl-2-pyridinyl)piperidine-1-carbaldehyde
SMILESCc1nc(C2CCN(C=O)CC2)ccc1N
InChIInChI=1S/C12H17N3O/c1-9-11(13)2-3-12(14-9)10-4-6-15(8-16)7-5-10/h2-3,8,10H,4-7,13H2,1H3
InChIKeyFNFJOISPMPRIMD-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.31
Rot. Bonds2

About 4-(5-amino-6-methyl-2-pyridinyl)piperidine-1-carbaldehyde

4-(5-amino-6-methyl-2-pyridinyl)piperidine-1-carbaldehyde (PubChem CID 89100455) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-(5-amino-6-methyl-2-pyridinyl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-(5-amino-6-methyl-2-pyridinyl)piperidine-1-carbaldehyde
PubChem CID89100455
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-(5-amino-6-methyl-2-pyridinyl)piperidine-1-carbaldehyde
SMILESCc1nc(C2CCN(C=O)CC2)ccc1N
InChIInChI=1S/C12H17N3O/c1-9-11(13)2-3-12(14-9)10-4-6-15(8-16)7-5-10/h2-3,8,10H,4-7,13H2,1H3
InChIKeyFNFJOISPMPRIMD-UHFFFAOYSA-N
XLogP1.31
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.31
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 4-(5-amino-6-methyl-2-pyridinyl)piperidine-1-carbaldehyde?
The IUPAC name of 4-(5-amino-6-methyl-2-pyridinyl)piperidine-1-carbaldehyde (CID 89100455) is 4-(5-amino-6-methyl-2-pyridinyl)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-(5-amino-6-methyl-2-pyridinyl)piperidine-1-carbaldehyde?
The canonical SMILES for 4-(5-amino-6-methyl-2-pyridinyl)piperidine-1-carbaldehyde is Cc1nc(C2CCN(C=O)CC2)ccc1N.
What is the InChIKey of 4-(5-amino-6-methyl-2-pyridinyl)piperidine-1-carbaldehyde?
The InChIKey is FNFJOISPMPRIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-11(13)2-3-12(14-9)10-4-6-15(8-16)7-5-10/h2-3,8,10H,4-7,13H2,1H3.
What are the key properties of 4-(5-amino-6-methyl-2-pyridinyl)piperidine-1-carbaldehyde?
4-(5-amino-6-methyl-2-pyridinyl)piperidine-1-carbaldehyde has a molecular weight of 219.29 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-6-methyl-2-pyridinyl)piperidine-1-carbaldehyde is sourced from PubChem (CID 89100455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).