1-(3-propan-2-yloxy-2-pyridinyl)piperidine-3-carbaldehyde

C14H20N2O2 — CID 113371296

IUPAC1-(3-propan-2-yloxy-2-pyridinyl)piperidine-3-carbaldehyde
SMILESCC(C)Oc1cccnc1N1CCCC(C=O)C1
InChIInChI=1S/C14H20N2O2/c1-11(2)18-13-6-3-7-15-14(13)16-8-4-5-12(9-16)10-17/h3,6-7,10-12H,4-5,8-9H2,1-2H3
InChIKeyRUPOTQBMYWZHLX-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.28
Rot. Bonds4

About 1-(3-propan-2-yloxy-2-pyridinyl)piperidine-3-carbaldehyde

1-(3-propan-2-yloxy-2-pyridinyl)piperidine-3-carbaldehyde (PubChem CID 113371296) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(3-propan-2-yloxy-2-pyridinyl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(3-propan-2-yloxy-2-pyridinyl)piperidine-3-carbaldehyde
PubChem CID113371296
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(3-propan-2-yloxy-2-pyridinyl)piperidine-3-carbaldehyde
SMILESCC(C)Oc1cccnc1N1CCCC(C=O)C1
InChIInChI=1S/C14H20N2O2/c1-11(2)18-13-6-3-7-15-14(13)16-8-4-5-12(9-16)10-17/h3,6-7,10-12H,4-5,8-9H2,1-2H3
InChIKeyRUPOTQBMYWZHLX-UHFFFAOYSA-N
XLogP2.28
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.28
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-(3-propan-2-yloxy-2-pyridinyl)piperidine-3-carbaldehyde?
The IUPAC name of 1-(3-propan-2-yloxy-2-pyridinyl)piperidine-3-carbaldehyde (CID 113371296) is 1-(3-propan-2-yloxy-2-pyridinyl)piperidine-3-carbaldehyde.
What is the SMILES notation for 1-(3-propan-2-yloxy-2-pyridinyl)piperidine-3-carbaldehyde?
The canonical SMILES for 1-(3-propan-2-yloxy-2-pyridinyl)piperidine-3-carbaldehyde is CC(C)Oc1cccnc1N1CCCC(C=O)C1.
What is the InChIKey of 1-(3-propan-2-yloxy-2-pyridinyl)piperidine-3-carbaldehyde?
The InChIKey is RUPOTQBMYWZHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(2)18-13-6-3-7-15-14(13)16-8-4-5-12(9-16)10-17/h3,6-7,10-12H,4-5,8-9H2,1-2H3.
What are the key properties of 1-(3-propan-2-yloxy-2-pyridinyl)piperidine-3-carbaldehyde?
1-(3-propan-2-yloxy-2-pyridinyl)piperidine-3-carbaldehyde has a molecular weight of 248.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yloxy-2-pyridinyl)piperidine-3-carbaldehyde is sourced from PubChem (CID 113371296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).