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

C17H21NO — CID 755868

IUPAC1-[(4-methylpiperidin-1-yl)methyl]naphthalen-2-ol
SMILESCC1CCN(Cc2c(O)ccc3ccccc23)CC1
InChIInChI=1S/C17H21NO/c1-13-8-10-18(11-9-13)12-16-15-5-3-2-4-14(15)6-7-17(16)19/h2-7,13,19H,8-12H2,1H3
InChIKeyLFRISHBOHIWJNJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.78
Rot. Bonds2

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

1-[(4-methylpiperidin-1-yl)methyl]naphthalen-2-ol (PubChem CID 755868) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[(4-methylpiperidin-1-yl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(4-methylpiperidin-1-yl)methyl]naphthalen-2-ol
PubChem CID755868
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-[(4-methylpiperidin-1-yl)methyl]naphthalen-2-ol
SMILESCC1CCN(Cc2c(O)ccc3ccccc23)CC1
InChIInChI=1S/C17H21NO/c1-13-8-10-18(11-9-13)12-16-15-5-3-2-4-14(15)6-7-17(16)19/h2-7,13,19H,8-12H2,1H3
InChIKeyLFRISHBOHIWJNJ-UHFFFAOYSA-N
XLogP3.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(4-methylpiperidin-1-yl)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(4-methylpiperidin-1-yl)methyl]naphthalen-2-ol (CID 755868) is 1-[(4-methylpiperidin-1-yl)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(4-methylpiperidin-1-yl)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(4-methylpiperidin-1-yl)methyl]naphthalen-2-ol is CC1CCN(Cc2c(O)ccc3ccccc23)CC1.
What is the InChIKey of 1-[(4-methylpiperidin-1-yl)methyl]naphthalen-2-ol?
The InChIKey is LFRISHBOHIWJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-8-10-18(11-9-13)12-16-15-5-3-2-4-14(15)6-7-17(16)19/h2-7,13,19H,8-12H2,1H3.
What are the key properties of 1-[(4-methylpiperidin-1-yl)methyl]naphthalen-2-ol?
1-[(4-methylpiperidin-1-yl)methyl]naphthalen-2-ol has a molecular weight of 255.36 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpiperidin-1-yl)methyl]naphthalen-2-ol is sourced from PubChem (CID 755868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).