2-hydroxy-6-(3-piperidin-1-ylpyrrolidin-1-yl)naphthalene-1-carbaldehyde

C20H24N2O2 — CID 88947303

IUPAC2-hydroxy-6-(3-piperidin-1-ylpyrrolidin-1-yl)naphthalene-1-carbaldehyde
SMILESO=Cc1c(O)ccc2cc(N3CCC(N4CCCCC4)C3)ccc12
InChIInChI=1S/C20H24N2O2/c23-14-19-18-6-5-16(12-15(18)4-7-20(19)24)22-11-8-17(13-22)21-9-2-1-3-10-21/h4-7,12,14,17,24H,1-3,8-11,13H2
InChIKeyNJWIQYNIIZQMQO-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.42
Rot. Bonds3

About 2-hydroxy-6-(3-piperidin-1-ylpyrrolidin-1-yl)naphthalene-1-carbaldehyde

2-hydroxy-6-(3-piperidin-1-ylpyrrolidin-1-yl)naphthalene-1-carbaldehyde (PubChem CID 88947303) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-hydroxy-6-(3-piperidin-1-ylpyrrolidin-1-yl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-(3-piperidin-1-ylpyrrolidin-1-yl)naphthalene-1-carbaldehyde
PubChem CID88947303
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-hydroxy-6-(3-piperidin-1-ylpyrrolidin-1-yl)naphthalene-1-carbaldehyde
SMILESO=Cc1c(O)ccc2cc(N3CCC(N4CCCCC4)C3)ccc12
InChIInChI=1S/C20H24N2O2/c23-14-19-18-6-5-16(12-15(18)4-7-20(19)24)22-11-8-17(13-22)21-9-2-1-3-10-21/h4-7,12,14,17,24H,1-3,8-11,13H2
InChIKeyNJWIQYNIIZQMQO-UHFFFAOYSA-N
XLogP3.42
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
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 2-hydroxy-6-(3-piperidin-1-ylpyrrolidin-1-yl)naphthalene-1-carbaldehyde?
The IUPAC name of 2-hydroxy-6-(3-piperidin-1-ylpyrrolidin-1-yl)naphthalene-1-carbaldehyde (CID 88947303) is 2-hydroxy-6-(3-piperidin-1-ylpyrrolidin-1-yl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-hydroxy-6-(3-piperidin-1-ylpyrrolidin-1-yl)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-hydroxy-6-(3-piperidin-1-ylpyrrolidin-1-yl)naphthalene-1-carbaldehyde is O=Cc1c(O)ccc2cc(N3CCC(N4CCCCC4)C3)ccc12.
What is the InChIKey of 2-hydroxy-6-(3-piperidin-1-ylpyrrolidin-1-yl)naphthalene-1-carbaldehyde?
The InChIKey is NJWIQYNIIZQMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-14-19-18-6-5-16(12-15(18)4-7-20(19)24)22-11-8-17(13-22)21-9-2-1-3-10-21/h4-7,12,14,17,24H,1-3,8-11,13H2.
What are the key properties of 2-hydroxy-6-(3-piperidin-1-ylpyrrolidin-1-yl)naphthalene-1-carbaldehyde?
2-hydroxy-6-(3-piperidin-1-ylpyrrolidin-1-yl)naphthalene-1-carbaldehyde has a molecular weight of 324.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(3-piperidin-1-ylpyrrolidin-1-yl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 88947303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).