1-[(1-methylpiperidin-2-yl)methyl]indazole-3-carbaldehyde

C15H19N3O — CID 89103267

IUPAC1-[(1-methylpiperidin-2-yl)methyl]indazole-3-carbaldehyde
SMILESCN1CCCCC1Cn1nc(C=O)c2ccccc21
InChIInChI=1S/C15H19N3O/c1-17-9-5-4-6-12(17)10-18-15-8-3-2-7-13(15)14(11-19)16-18/h2-3,7-8,11-12H,4-6,9-10H2,1H3
InChIKeyNZWBZYDHWKGEDH-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.33
Rot. Bonds3

About 1-[(1-methylpiperidin-2-yl)methyl]indazole-3-carbaldehyde

1-[(1-methylpiperidin-2-yl)methyl]indazole-3-carbaldehyde (PubChem CID 89103267) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-2-yl)methyl]indazole-3-carbaldehyde.

Molecular Properties

Compound Name1-[(1-methylpiperidin-2-yl)methyl]indazole-3-carbaldehyde
PubChem CID89103267
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[(1-methylpiperidin-2-yl)methyl]indazole-3-carbaldehyde
SMILESCN1CCCCC1Cn1nc(C=O)c2ccccc21
InChIInChI=1S/C15H19N3O/c1-17-9-5-4-6-12(17)10-18-15-8-3-2-7-13(15)14(11-19)16-18/h2-3,7-8,11-12H,4-6,9-10H2,1H3
InChIKeyNZWBZYDHWKGEDH-UHFFFAOYSA-N
XLogP2.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-2-yl)methyl]indazole-3-carbaldehyde?
The IUPAC name of 1-[(1-methylpiperidin-2-yl)methyl]indazole-3-carbaldehyde (CID 89103267) is 1-[(1-methylpiperidin-2-yl)methyl]indazole-3-carbaldehyde.
What is the SMILES notation for 1-[(1-methylpiperidin-2-yl)methyl]indazole-3-carbaldehyde?
The canonical SMILES for 1-[(1-methylpiperidin-2-yl)methyl]indazole-3-carbaldehyde is CN1CCCCC1Cn1nc(C=O)c2ccccc21.
What is the InChIKey of 1-[(1-methylpiperidin-2-yl)methyl]indazole-3-carbaldehyde?
The InChIKey is NZWBZYDHWKGEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-17-9-5-4-6-12(17)10-18-15-8-3-2-7-13(15)14(11-19)16-18/h2-3,7-8,11-12H,4-6,9-10H2,1H3.
What are the key properties of 1-[(1-methylpiperidin-2-yl)methyl]indazole-3-carbaldehyde?
1-[(1-methylpiperidin-2-yl)methyl]indazole-3-carbaldehyde has a molecular weight of 257.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-2-yl)methyl]indazole-3-carbaldehyde is sourced from PubChem (CID 89103267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).