6-[4-(dimethylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde

C18H22N2O2 — CID 88947024

IUPAC6-[4-(dimethylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde
SMILESCN(C)C1CCN(c2ccc3c(C=O)c(O)ccc3c2)CC1
InChIInChI=1S/C18H22N2O2/c1-19(2)14-7-9-20(10-8-14)15-4-5-16-13(11-15)3-6-18(22)17(16)12-21/h3-6,11-12,14,22H,7-10H2,1-2H3
InChIKeyOTWFSRAPPDWPFW-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.89
Rot. Bonds3

About 6-[4-(dimethylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde

6-[4-(dimethylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde (PubChem CID 88947024) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-[4-(dimethylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name6-[4-(dimethylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde
PubChem CID88947024
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name6-[4-(dimethylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde
SMILESCN(C)C1CCN(c2ccc3c(C=O)c(O)ccc3c2)CC1
InChIInChI=1S/C18H22N2O2/c1-19(2)14-7-9-20(10-8-14)15-4-5-16-13(11-15)3-6-18(22)17(16)12-21/h3-6,11-12,14,22H,7-10H2,1-2H3
InChIKeyOTWFSRAPPDWPFW-UHFFFAOYSA-N
XLogP2.89
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.89
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 6-[4-(dimethylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde?
The IUPAC name of 6-[4-(dimethylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde (CID 88947024) is 6-[4-(dimethylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde.
What is the SMILES notation for 6-[4-(dimethylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde?
The canonical SMILES for 6-[4-(dimethylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde is CN(C)C1CCN(c2ccc3c(C=O)c(O)ccc3c2)CC1.
What is the InChIKey of 6-[4-(dimethylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde?
The InChIKey is OTWFSRAPPDWPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-19(2)14-7-9-20(10-8-14)15-4-5-16-13(11-15)3-6-18(22)17(16)12-21/h3-6,11-12,14,22H,7-10H2,1-2H3.
What are the key properties of 6-[4-(dimethylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde?
6-[4-(dimethylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde has a molecular weight of 298.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)piperidin-1-yl]-2-hydroxynaphthalene-1-carbaldehyde is sourced from PubChem (CID 88947024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).