1-[[(1-methylpiperidin-4-yl)amino]methyl]naphthalen-2-ol

C17H22N2O — CID 43373408

IUPAC1-[[(1-methylpiperidin-4-yl)amino]methyl]naphthalen-2-ol
SMILESCN1CCC(NCc2c(O)ccc3ccccc23)CC1
InChIInChI=1S/C17H22N2O/c1-19-10-8-14(9-11-19)18-12-16-15-5-3-2-4-13(15)6-7-17(16)20/h2-7,14,18,20H,8-12H2,1H3
InChIKeyKSTSMJSJXHJVKK-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.73
Rot. Bonds3

About 1-[[(1-methylpiperidin-4-yl)amino]methyl]naphthalen-2-ol

1-[[(1-methylpiperidin-4-yl)amino]methyl]naphthalen-2-ol (PubChem CID 43373408) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[[(1-methylpiperidin-4-yl)amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(1-methylpiperidin-4-yl)amino]methyl]naphthalen-2-ol
PubChem CID43373408
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[[(1-methylpiperidin-4-yl)amino]methyl]naphthalen-2-ol
SMILESCN1CCC(NCc2c(O)ccc3ccccc23)CC1
InChIInChI=1S/C17H22N2O/c1-19-10-8-14(9-11-19)18-12-16-15-5-3-2-4-13(15)6-7-17(16)20/h2-7,14,18,20H,8-12H2,1H3
InChIKeyKSTSMJSJXHJVKK-UHFFFAOYSA-N
XLogP2.73
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1-methylpiperidin-4-yl)amino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[(1-methylpiperidin-4-yl)amino]methyl]naphthalen-2-ol (CID 43373408) is 1-[[(1-methylpiperidin-4-yl)amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(1-methylpiperidin-4-yl)amino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(1-methylpiperidin-4-yl)amino]methyl]naphthalen-2-ol is CN1CCC(NCc2c(O)ccc3ccccc23)CC1.
What is the InChIKey of 1-[[(1-methylpiperidin-4-yl)amino]methyl]naphthalen-2-ol?
The InChIKey is KSTSMJSJXHJVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19-10-8-14(9-11-19)18-12-16-15-5-3-2-4-13(15)6-7-17(16)20/h2-7,14,18,20H,8-12H2,1H3.
What are the key properties of 1-[[(1-methylpiperidin-4-yl)amino]methyl]naphthalen-2-ol?
1-[[(1-methylpiperidin-4-yl)amino]methyl]naphthalen-2-ol has a molecular weight of 270.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-methylpiperidin-4-yl)amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 43373408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).