2-hydroxy-7-(4-methylpiperazin-1-yl)naphthalene-1-carbaldehyde

C16H18N2O2 — CID 89113217

IUPAC2-hydroxy-7-(4-methylpiperazin-1-yl)naphthalene-1-carbaldehyde
SMILESCN1CCN(c2ccc3ccc(O)c(C=O)c3c2)CC1
InChIInChI=1S/C16H18N2O2/c1-17-6-8-18(9-7-17)13-4-2-12-3-5-16(20)15(11-19)14(12)10-13/h2-5,10-11,20H,6-9H2,1H3
InChIKeyYPANASLQRVCHPK-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.11
Rot. Bonds2

About 2-hydroxy-7-(4-methylpiperazin-1-yl)naphthalene-1-carbaldehyde

2-hydroxy-7-(4-methylpiperazin-1-yl)naphthalene-1-carbaldehyde (PubChem CID 89113217) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-hydroxy-7-(4-methylpiperazin-1-yl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-7-(4-methylpiperazin-1-yl)naphthalene-1-carbaldehyde
PubChem CID89113217
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-hydroxy-7-(4-methylpiperazin-1-yl)naphthalene-1-carbaldehyde
SMILESCN1CCN(c2ccc3ccc(O)c(C=O)c3c2)CC1
InChIInChI=1S/C16H18N2O2/c1-17-6-8-18(9-7-17)13-4-2-12-3-5-16(20)15(11-19)14(12)10-13/h2-5,10-11,20H,6-9H2,1H3
InChIKeyYPANASLQRVCHPK-UHFFFAOYSA-N
XLogP2.11
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-hydroxy-7-(4-methylpiperazin-1-yl)naphthalene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-7-[3-(methylamino)pyrrolidin-1-yl]naphthalene-1-carbaldehyde
CID 146414137
4-(4-methylpiperazin-1-yl)benzene-1,2-diol
CID 84676102
N-[1-(5-formyl-6-hydroxynaphthalen-2-yl)pyrrolidin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 89113240
2-hydroxy-6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]naphthalene-1-carbaldehyde
CID 88947290
2-methyl-7-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]naphthalene-1-carbaldehyde
CID 88947180
1-(hydroxymethyl)-7-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]naphthalen-2-ol
CID 70933158
1-[4-(4-methylpiperazin-1-yl)phenyl]indole-6-carbaldehyde
CID 89494117
6-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid
CID 132843535
[4-(4-methylpiperazin-1-yl)-2-methylsulfonylphenyl]methanol
CID 139564494
2-ethyl-5-(4-methylpiperazin-1-yl)aniline
CID 39244247
1-(3-ethyl-4-methylphenyl)-4-methylpiperazine
CID 142939329
2-hydroxy-6-[3-(2-pyridin-2-ylethyl)piperidin-1-yl]naphthalene-1-carbaldehyde
CID 152940769

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-7-(4-methylpiperazin-1-yl)naphthalene-1-carbaldehyde?
The IUPAC name of 2-hydroxy-7-(4-methylpiperazin-1-yl)naphthalene-1-carbaldehyde (CID 89113217) is 2-hydroxy-7-(4-methylpiperazin-1-yl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-hydroxy-7-(4-methylpiperazin-1-yl)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-hydroxy-7-(4-methylpiperazin-1-yl)naphthalene-1-carbaldehyde is CN1CCN(c2ccc3ccc(O)c(C=O)c3c2)CC1.
What is the InChIKey of 2-hydroxy-7-(4-methylpiperazin-1-yl)naphthalene-1-carbaldehyde?
The InChIKey is YPANASLQRVCHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-17-6-8-18(9-7-17)13-4-2-12-3-5-16(20)15(11-19)14(12)10-13/h2-5,10-11,20H,6-9H2,1H3.
What are the key properties of 2-hydroxy-7-(4-methylpiperazin-1-yl)naphthalene-1-carbaldehyde?
2-hydroxy-7-(4-methylpiperazin-1-yl)naphthalene-1-carbaldehyde has a molecular weight of 270.33 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-7-(4-methylpiperazin-1-yl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 89113217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).