4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde

C20H23N3O2 — CID 143978228

IUPAC4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde
SMILESO=CN1CCC(Oc2ccc(CN3Cc4ccccc4C3)cn2)CC1
InChIInChI=1S/C20H23N3O2/c24-15-22-9-7-19(8-10-22)25-20-6-5-16(11-21-20)12-23-13-17-3-1-2-4-18(17)14-23/h1-6,11,15,19H,7-10,12-14H2
InChIKeyDQLXEACOBJJNPF-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.60
Rot. Bonds5

About 4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde

4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde (PubChem CID 143978228) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde
PubChem CID143978228
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde
SMILESO=CN1CCC(Oc2ccc(CN3Cc4ccccc4C3)cn2)CC1
InChIInChI=1S/C20H23N3O2/c24-15-22-9-7-19(8-10-22)25-20-6-5-16(11-21-20)12-23-13-17-3-1-2-4-18(17)14-23/h1-6,11,15,19H,7-10,12-14H2
InChIKeyDQLXEACOBJJNPF-UHFFFAOYSA-N
XLogP2.60
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.60
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 4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde?
The IUPAC name of 4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde (CID 143978228) is 4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde.
What is the SMILES notation for 4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde?
The canonical SMILES for 4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde is O=CN1CCC(Oc2ccc(CN3Cc4ccccc4C3)cn2)CC1.
What is the InChIKey of 4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde?
The InChIKey is DQLXEACOBJJNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-15-22-9-7-19(8-10-22)25-20-6-5-16(11-21-20)12-23-13-17-3-1-2-4-18(17)14-23/h1-6,11,15,19H,7-10,12-14H2.
What are the key properties of 4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde?
4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde has a molecular weight of 337.42 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde is sourced from PubChem (CID 143978228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).