2-hydroxy-6-(4-morpholin-4-ylpiperidin-1-yl)naphthalene-1-carbaldehyde

C20H24N2O3 — CID 88947175

IUPAC2-hydroxy-6-(4-morpholin-4-ylpiperidin-1-yl)naphthalene-1-carbaldehyde
SMILESO=Cc1c(O)ccc2cc(N3CCC(N4CCOCC4)CC3)ccc12
InChIInChI=1S/C20H24N2O3/c23-14-19-18-3-2-17(13-15(18)1-4-20(19)24)21-7-5-16(6-8-21)22-9-11-25-12-10-22/h1-4,13-14,16,24H,5-12H2
InChIKeyHBEHRDZAHSLZAF-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.66
Rot. Bonds3

About 2-hydroxy-6-(4-morpholin-4-ylpiperidin-1-yl)naphthalene-1-carbaldehyde

2-hydroxy-6-(4-morpholin-4-ylpiperidin-1-yl)naphthalene-1-carbaldehyde (PubChem CID 88947175) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-hydroxy-6-(4-morpholin-4-ylpiperidin-1-yl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-(4-morpholin-4-ylpiperidin-1-yl)naphthalene-1-carbaldehyde
PubChem CID88947175
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-hydroxy-6-(4-morpholin-4-ylpiperidin-1-yl)naphthalene-1-carbaldehyde
SMILESO=Cc1c(O)ccc2cc(N3CCC(N4CCOCC4)CC3)ccc12
InChIInChI=1S/C20H24N2O3/c23-14-19-18-3-2-17(13-15(18)1-4-20(19)24)21-7-5-16(6-8-21)22-9-11-25-12-10-22/h1-4,13-14,16,24H,5-12H2
InChIKeyHBEHRDZAHSLZAF-UHFFFAOYSA-N
XLogP2.66
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-morpholin-4-ylpiperidin-1-yl)naphthalene-1-carbaldehyde?
The IUPAC name of 2-hydroxy-6-(4-morpholin-4-ylpiperidin-1-yl)naphthalene-1-carbaldehyde (CID 88947175) is 2-hydroxy-6-(4-morpholin-4-ylpiperidin-1-yl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-hydroxy-6-(4-morpholin-4-ylpiperidin-1-yl)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-hydroxy-6-(4-morpholin-4-ylpiperidin-1-yl)naphthalene-1-carbaldehyde is O=Cc1c(O)ccc2cc(N3CCC(N4CCOCC4)CC3)ccc12.
What is the InChIKey of 2-hydroxy-6-(4-morpholin-4-ylpiperidin-1-yl)naphthalene-1-carbaldehyde?
The InChIKey is HBEHRDZAHSLZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-14-19-18-3-2-17(13-15(18)1-4-20(19)24)21-7-5-16(6-8-21)22-9-11-25-12-10-22/h1-4,13-14,16,24H,5-12H2.
What are the key properties of 2-hydroxy-6-(4-morpholin-4-ylpiperidin-1-yl)naphthalene-1-carbaldehyde?
2-hydroxy-6-(4-morpholin-4-ylpiperidin-1-yl)naphthalene-1-carbaldehyde has a molecular weight of 340.42 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(4-morpholin-4-ylpiperidin-1-yl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 88947175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).