6-(1-methylpiperidin-3-yl)pyrimidine-4-carbaldehyde

C11H15N3O — CID 116857816

IUPAC6-(1-methylpiperidin-3-yl)pyrimidine-4-carbaldehyde
SMILESCN1CCCC(c2cc(C=O)ncn2)C1
InChIInChI=1S/C11H15N3O/c1-14-4-2-3-9(6-14)11-5-10(7-15)12-8-13-11/h5,7-9H,2-4,6H2,1H3
InChIKeyRHOMBICMDRUAOZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.10
Rot. Bonds2

About 6-(1-methylpiperidin-3-yl)pyrimidine-4-carbaldehyde

6-(1-methylpiperidin-3-yl)pyrimidine-4-carbaldehyde (PubChem CID 116857816) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-(1-methylpiperidin-3-yl)pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-(1-methylpiperidin-3-yl)pyrimidine-4-carbaldehyde
PubChem CID116857816
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name6-(1-methylpiperidin-3-yl)pyrimidine-4-carbaldehyde
SMILESCN1CCCC(c2cc(C=O)ncn2)C1
InChIInChI=1S/C11H15N3O/c1-14-4-2-3-9(6-14)11-5-10(7-15)12-8-13-11/h5,7-9H,2-4,6H2,1H3
InChIKeyRHOMBICMDRUAOZ-UHFFFAOYSA-N
XLogP1.10
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(1-methylpiperidin-3-yl)pyrimidine-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carbaldehyde
CID 170747425
6-(1-methylpiperidin-3-yl)pyridazine-3,4-diamine
CID 117105593
7-[(3R)-1-methylpiperidin-3-yl]-3H-pyrido[3,4-d]pyridazin-4-one
CID 175931075
5-methyl-4-(1-methylpiperidin-3-yl)-1,3-thiazole-2-carbaldehyde
CID 116867320
5-chloro-3-(1-methylpiperidin-3-yl)pyridazine
CID 117105599
formamide;2-methyl-6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine
CID 177202390
1-[(3S)-1-methylpiperidin-3-yl]triazole-4-carbaldehyde
CID 129495016
4,6-dicyclopentylpyrimidine
CID 71817735
4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carbaldehyde
CID 131297673
N,N,2-trimethyl-6-[(3R)-1-methylpiperidin-3-yl]pyridin-4-amine
CID 125000369
[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanamine
CID 116892379
2-bromo-4-(1-methylpiperidin-3-yl)-1,3-oxazole
CID 115045488

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpiperidin-3-yl)pyrimidine-4-carbaldehyde?
The IUPAC name of 6-(1-methylpiperidin-3-yl)pyrimidine-4-carbaldehyde (CID 116857816) is 6-(1-methylpiperidin-3-yl)pyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-(1-methylpiperidin-3-yl)pyrimidine-4-carbaldehyde?
The canonical SMILES for 6-(1-methylpiperidin-3-yl)pyrimidine-4-carbaldehyde is CN1CCCC(c2cc(C=O)ncn2)C1.
What is the InChIKey of 6-(1-methylpiperidin-3-yl)pyrimidine-4-carbaldehyde?
The InChIKey is RHOMBICMDRUAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-14-4-2-3-9(6-14)11-5-10(7-15)12-8-13-11/h5,7-9H,2-4,6H2,1H3.
What are the key properties of 6-(1-methylpiperidin-3-yl)pyrimidine-4-carbaldehyde?
6-(1-methylpiperidin-3-yl)pyrimidine-4-carbaldehyde has a molecular weight of 205.26 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpiperidin-3-yl)pyrimidine-4-carbaldehyde is sourced from PubChem (CID 116857816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).