1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carbaldehyde

C11H17N3O — CID 82870725

IUPAC1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carbaldehyde
SMILESCn1ccc(CN2CCCC(C=O)C2)n1
InChIInChI=1S/C11H17N3O/c1-13-6-4-11(12-13)8-14-5-2-3-10(7-14)9-15/h4,6,9-10H,2-3,5,7-8H2,1H3
InChIKeySMZBPFREHYMWCX-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.83
Rot. Bonds3

About 1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carbaldehyde

1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carbaldehyde (PubChem CID 82870725) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carbaldehyde
PubChem CID82870725
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carbaldehyde
SMILESCn1ccc(CN2CCCC(C=O)C2)n1
InChIInChI=1S/C11H17N3O/c1-13-6-4-11(12-13)8-14-5-2-3-10(7-14)9-15/h4,6,9-10H,2-3,5,7-8H2,1H3
InChIKeySMZBPFREHYMWCX-UHFFFAOYSA-N
XLogP0.83
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.83
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-methylpyrazol-3-yl)methyl]piperidine-3-carbaldehyde?
The IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carbaldehyde (CID 82870725) is 1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carbaldehyde.
What is the SMILES notation for 1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carbaldehyde?
The canonical SMILES for 1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carbaldehyde is Cn1ccc(CN2CCCC(C=O)C2)n1.
What is the InChIKey of 1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carbaldehyde?
The InChIKey is SMZBPFREHYMWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-6-4-11(12-13)8-14-5-2-3-10(7-14)9-15/h4,6,9-10H,2-3,5,7-8H2,1H3.
What are the key properties of 1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carbaldehyde?
1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carbaldehyde has a molecular weight of 207.28 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carbaldehyde is sourced from PubChem (CID 82870725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).